(Z)-2-cyano-3-[3-methoxy-4-oxidanyl-5-(phenethylsulfanylmethyl)phenyl]-N-(phenylmethyl)prop-2-enamide

Systemtic Name: (Z)-2-cyano-3-[3-methoxy-4-oxidanyl-5-(phenethylsulfanylmethyl)phenyl]-N-(phenylmethyl)prop-2-enamide Openeye Name: (Z)-N-benzyl-2-cyano-3-[4-hydroxy-3-methoxy-5-(phenethylsulfanylmethyl)phenyl]prop-2-enamide CAS Name: (Z)-2-cyano-3-[4-hydroxy-3-methoxy-5-[(phenethylthio)methyl]phenyl]-N-(phenylmethyl)-2-propenamide IUPAC Name: (Z)-N-benzyl-2-cyano-3-[4-hydroxy-3-methoxy-5-(phenethylsulfanylmethyl)phenyl]prop-2-enamide Traditional Name: (Z)-N-benzyl-2-cyano-3-[4-hydroxy-3-methoxy-5-[(phenethylthio)methyl]phenyl]acrylamide Formula: C27H26N2O3S MolecularWeight: 458.57194

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)CSCCC2=CC=CC=C2)C=C(C#N)C(=O)NCC3=CC=CC=C3

Isomeric SMILES

COC1=CC(=CC(=C1O)CSCCC2=CC=CC=C2)/C=C(/C#N)\C(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C27H26N2O3S/c1-32-25-16-22(14-23(17-28)27(31)29-18-21-10-6-3-7-11-21)15-24(26(25)30)19-33-13-12-20-8-4-2-5-9-20/h2-11,14-16,30H,12-13,18-19H2,1H3,(H,29,31)/b23-14-