(E)-2-cyano-3-[3-methoxy-4-oxidanyl-5-[(phenylmethylsulfanyl)methyl]phenyl]prop-2-enamide

Systemtic Name: (E)-2-cyano-3-[3-methoxy-4-oxidanyl-5-[(phenylmethylsulfanyl)methyl]phenyl]prop-2-enamide Openeye Name: (E)-3-[3-(benzylsulfanylmethyl)-4-hydroxy-5-methoxy-phenyl]-2-cyano-prop-2-enamide CAS Name: (E)-2-cyano-3-[4-hydroxy-3-methoxy-5-[(phenylmethylthio)methyl]phenyl]-2-propenamide IUPAC Name: (E)-3-[3-(benzylsulfanylmethyl)-4-hydroxy-5-methoxyphenyl]-2-cyanoprop-2-enamide Traditional Name: (E)-3-[3-[(benzylthio)methyl]-4-hydroxy-5-methoxy-phenyl]-2-cyano-acrylamide Formula: C19H18N2O3S MolecularWeight: 354.42282

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)CSCC2=CC=CC=C2)C=C(C#N)C(=O)N

Isomeric SMILES

COC1=CC(=CC(=C1O)CSCC2=CC=CC=C2)/C=C(\C#N)/C(=O)N

InChI

InChI=1S/C19H18N2O3S/c1-24-17-9-14(7-15(10-20)19(21)23)8-16(18(17)22)12-25-11-13-5-3-2-4-6-13/h2-9,22H,11-12H2,1H3,(H2,21,23)/b15-7+