(E)-2-cyano-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-methylsulfanylphenyl)prop-2-enamide

Systemtic Name: (E)-2-cyano-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-methylsulfanylphenyl)prop-2-enamide Openeye Name: (E)-2-cyano-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-methylsulfanylphenyl)prop-2-enamide CAS Name: (E)-2-cyano-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-(methylthio)phenyl]-2-propenamide IUPAC Name: (E)-2-cyano-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-methylsulfanylphenyl)prop-2-enamide Traditional Name: (E)-2-cyano-N-homoveratryl-3-[4-(methylthio)phenyl]acrylamide Formula: C21H22N2O3S MolecularWeight: 382.47598

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)C(=CC2=CC=C(C=C2)SC)C#N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)/C(=C/C2=CC=C(C=C2)SC)/C#N)OC

InChI

InChI=1S/C21H22N2O3S/c1-25-19-9-6-16(13-20(19)26-2)10-11-23-21(24)17(14-22)12-15-4-7-18(27-3)8-5-15/h4-9,12-13H,10-11H2,1-3H3,(H,23,24)/b17-12+