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CHEBI:92896 - 2-cyano-3-[3-ethoxy-4-hydroxy-5-[(phenylthio)methyl]phenyl]-2-propenamide

ChEBI IDCHEBI:92896
ChEBI Name2-cyano-3-[3-ethoxy-4-hydroxy-5-[(phenylthio)methyl]phenyl]-2-propenamide
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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)
InChIKeyYKLMGKWXBLSKPK-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
2-cyano-3-[3-ethoxy-4-hydroxy-5-[(phenylthio)methyl]phenyl]-2-propenamide (CHEBI:92896) is a hydroxycinnamic acid (CHEBI:24689)
Manual XrefsDatabases
LSM-3139LINCS