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CHEBI:92141 - 3-[3-[(1,3-benzothiazol-2-ylthio)methyl]-4-hydroxy-5-methoxyphenyl]-2-cyano-2-propenamide

ChEBI IDCHEBI:92141
ChEBI Name3-[3-[(1,3-benzothiazol-2-ylthio)methyl]-4-hydroxy-5-methoxyphenyl]-2-cyano-2-propenamide
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FormulaC19H15N3O3S2
Net Charge0
Average Mass397.481
Monoisotopic Mass397.05548
SMILESCOc1cc(C=C(C#N)C(N)=O)cc(CSc2nc3ccccc3s2)c1O
InChIInChI=1S/C19H15N3O3S2/c1-25-15-8-11(6-12(9-20)18(21)24)7-13(17(15)23)10-26-19-22-14-4-2-3-5-16(14)27-19/h2-8,23H,10H2,1H3,(H2,21,24)
InChIKeyKXDONFLNGBQLTN-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)
3-[3-[(1,3-benzothiazol-2-ylthio)methyl]-4-hydroxy-5-methoxyphenyl]-2-cyano-2-propenamide (CHEBI:92141) is a hydroxycinnamic acid (CHEBI:24689)
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