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

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ChEBI Name 2-Cyano-3-(3-ethoxy-4-hydroxy-5-((phenylthio)methyl)phenyl)-2-propenamide
ChEBI ID CHEBI:229534
Stars This entity has been manually annotated by a third party.
Submitter Noemi Tejera
Supplier Information
Download Molfile XML SDF
Formula C19H18N2O3S
Net Charge 0
Average Mass 354.420
Monoisotopic Mass 354.10381
InChI InChI=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+
InChIKey YKLMGKWXBLSKPK-RIYZIHGNSA-N
SMILES S(CC1=C(O)C(OCC)=CC(=C1)/C=C(/C(=O)N)\C#N)C2=CC=CC=C2
Metabolite of Species Details
Homo sapiens ( NCBI:txid9606) See: MetaboLights Study
ChEBI Ontology
Outgoing 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-638 SUBMITTER