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CHEBI:229534 - 2-Cyano-3-(3-ethoxy-4-hydroxy-5-((phenylthio)methyl)phenyl)-2-propenamide

ChEBI IDCHEBI:229534
ChEBI Name2-Cyano-3-(3-ethoxy-4-hydroxy-5-((phenylthio)methyl)phenyl)-2-propenamide
Stars
Submitterntejera
DownloadsMolfile
FormulaC19H18N2O3S
Net Charge0
Average Mass354.431
Monoisotopic Mass354.10381
SMILESCCOc1cc(/C=C(\C#N)C(N)=O)cc(CSc2ccccc2)c1O
InChIInChI=1S/C19H18N2O3S/c1-2-24-17-10-13(8-14(11-20)19(21)23)9-15(18(17)22)12-25-16-6-4-3-5-7-16/h3-10,22H,2,12H2,1H3,(H2,21,23)/b14-8+
InChIKeyYKLMGKWXBLSKPK-RIYZIHGNSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - MetaboLights (MTBLS8090)
ChEBI Ontology
Outgoing Relation(s)
2-Cyano-3-(3-ethoxy-4-hydroxy-5-((phenylthio)methyl)phenyl)-2-propenamide (CHEBI:229534) is a benzenoid aromatic compound (CHEBI:33836)
IUPAC Name 
(E)-2-cyano-3-[3-ethoxy-4-hydroxy-5-(phenylsulfanylmethyl)phenyl]prop-2-enamide
Synonym  Source
ST-638SUBMITTER