(E)-3-[3,4-bis(oxidanyl)-5-(phenylsulfanylmethyl)phenyl]-2-cyano-prop-2-enamide

Systemtic Name: (E)-3-[3,4-bis(oxidanyl)-5-(phenylsulfanylmethyl)phenyl]-2-cyano-prop-2-enamide Openeye Name: (E)-2-cyano-3-[3,4-dihydroxy-5-(phenylsulfanylmethyl)phenyl]prop-2-enamide CAS Name: (E)-2-cyano-3-[3,4-dihydroxy-5-[(phenylthio)methyl]phenyl]-2-propenamide IUPAC Name: (E)-2-cyano-3-[3,4-dihydroxy-5-(phenylsulfanylmethyl)phenyl]prop-2-enamide Traditional Name: (E)-2-cyano-3-[3,4-dihydroxy-5-[(phenylthio)methyl]phenyl]acrylamide Formula: C17H14N2O3S MolecularWeight: 326.36966

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCC2=C(C(=CC(=C2)C=C(C#N)C(=O)N)O)O

Isomeric SMILES

C1=CC=C(C=C1)SCC2=C(C(=CC(=C2)/C=C(\C#N)/C(=O)N)O)O

InChI

InChI=1S/C17H14N2O3S/c18-9-12(17(19)22)6-11-7-13(16(21)15(20)8-11)10-23-14-4-2-1-3-5-14/h1-8,20-21H,10H2,(H2,19,22)/b12-6+