Consensus flow list

Methyl 5-[bis(2-methoxy-2-oxoethyl)amino]-4-cyano-3-(2-methoxy-2-oxoethyl)thiophene-2-carboxylate

fo-cd3a433b24e6febd

Identity

Type
Neutral molecule
CAS
674773-13-8
EC
451-540-2
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for Methyl 5-[bis(2-methoxy-2-oxoethyl)amino]-4-cyano-3-(2-methoxy-2-oxoethyl)thiophene-2-carboxylate

Alternative labels

3

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string AYCCQDIBOMUCEW-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C16H18N2O8S/c1-23-11(19)5-9-10(6-17)15(27-14(9)16(22)26-4)18(7-12(20)24-2)8-13(21)25-3/h5,7-8H2,1-4H3
IUPAC name chemrof:IUPAC_name Methyl 5-[bis(2-methoxy-2-oxoethyl)amino]-4-cyano-3-(2-methoxy-2-oxoethyl)thiophene-2-carboxylate
Molecular formula chemrof:molecular_formula C16H18N2O8S
Molecular mass chemrof:molecular_mass 398.393
Monoisotopic mass chemrof:monoisotopic_mass 398.078387
SMILES string chemrof:smiles_string COC(=O)Cc1c(C(=O)OC)sc(N(CC(=O)OC)CC(=O)OC)c1C#N

Known URLs

6

Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.

Resource URL Recorded by
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=674773-13-8 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.104.296 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.117.117 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID401036393 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/11516837 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q126673507 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
0292baa3-215e-481f-8937-a484c19e4170 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
dc159afb-c4d3-4256-9cfc-bbb5e0876e57 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
a8e66fd2-76b6-40c4-a908-d854002daf70 Environmental → Air → Indoor EF 3.1 kg 4
51ae1648-be0d-467e-b11d-4319eee4001f Environmental → Air → Long-term EF 3.1 kg 0
bf6af53d-4c7d-44b5-b95e-dd7f1a6879d5 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
cd630f23-c347-4168-8bb3-3db000c81cff Environmental → Air → Unknown EF 3.1 kg 4
daaa224e-7d37-4e31-968c-a2dce143c7c8 Environmental → Ground → Agricultural EF 3.1 kg 4
3c7dc912-4e67-452b-8747-721cf996f9a6 Environmental → Ground → Non-agricultural EF 3.1 kg 4
2830a15b-6b34-4313-b9c6-c530526df927 Environmental → Ground → Unknown EF 3.1 kg 4
d7557a3c-83a5-4f80-bf33-c1bc6b7ec663 Environmental → Water → Long-term EF 3.1 kg 0
a79a6fd6-0804-4dd8-8f59-14b2f84d5839 Environmental → Water → Ocean EF 3.1 kg 4
05869f9e-39e7-4af5-a62f-00b73b0eda36 Environmental → Water → Surface water EF 3.1 kg 4
3411640c-432c-40aa-a084-da794c75b0e5 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (54 changes)

Open the changes page

Full record

Flow object JSON 
{
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  ],
  "altLabel": [
    {
      "@value": "3-Thiopheneacetic acid, 5-[bis(2-methoxy-2-oxoethyl)amino]-4-cyano-2-(methoxycarbonyl)-, methyl ester",
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    },
    {
      "@value": "Methyl 5-[bis(2-methoxy-2-oxoethyl)amino]-4-cyano-2-(methoxycarbonyl)-3-thiopheneacetate",
      "@language": "en",
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}

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