methyl (Z)-2-cyano-3-[2,4-dimethyl-5-[(phenylmethylsulfanyl)methyl]phenyl]prop-2-enoate

Systemtic Name: methyl (Z)-2-cyano-3-[2,4-dimethyl-5-[(phenylmethylsulfanyl)methyl]phenyl]prop-2-enoate Openeye Name: methyl (Z)-3-[5-(benzylsulfanylmethyl)-2,4-dimethyl-phenyl]-2-cyano-prop-2-enoate CAS Name: (Z)-2-cyano-3-[2,4-dimethyl-5-[(phenylmethylthio)methyl]phenyl]-2-propenoic acid methyl ester IUPAC Name: methyl (Z)-3-[5-(benzylsulfanylmethyl)-2,4-dimethylphenyl]-2-cyanoprop-2-enoate Traditional Name: (Z)-3-[5-[(benzylthio)methyl]-2,4-dimethyl-phenyl]-2-cyano-acrylic acid methyl ester Formula: C21H21NO2S MolecularWeight: 351.46194

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C=C(C#N)C(=O)OC)CSCC2=CC=CC=C2)C

Isomeric SMILES

CC1=CC(=C(C=C1/C=C(/C#N)\C(=O)OC)CSCC2=CC=CC=C2)C

InChI

InChI=1S/C21H21NO2S/c1-15-9-16(2)20(14-25-13-17-7-5-4-6-8-17)11-18(15)10-19(12-22)21(23)24-3/h4-11H,13-14H2,1-3H3/b19-10-