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

Systemtic Name: propan-2-yl (E)-2-cyano-3-[2,4-dimethyl-5-[(phenylmethylsulfanyl)methyl]phenyl]prop-2-enoate Openeye Name: isopropyl (E)-3-[5-(benzylsulfanylmethyl)-2,4-dimethyl-phenyl]-2-cyano-prop-2-enoate CAS Name: (E)-2-cyano-3-[2,4-dimethyl-5-[(phenylmethylthio)methyl]phenyl]-2-propenoic acid propan-2-yl ester IUPAC Name: propan-2-yl (E)-3-[5-(benzylsulfanylmethyl)-2,4-dimethylphenyl]-2-cyanoprop-2-enoate Traditional Name: (E)-3-[5-[(benzylthio)methyl]-2,4-dimethyl-phenyl]-2-cyano-acrylic acid isopropyl ester Formula: C23H25NO2S MolecularWeight: 379.5151

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25NO2S/c1-16(2)26-23(25)21(13-24)11-20-12-22(18(4)10-17(20)3)15-27-14-19-8-6-5-7-9-19/h5-12,16H,14-15H2,1-4H3/b21-11+