propan-2-yl (E)-2-cyano-3-[2,5-dimethyl-3-[(2-methylphenyl)sulfanylmethyl]phenyl]prop-2-enoate

Systemtic Name: propan-2-yl (E)-2-cyano-3-[2,5-dimethyl-3-[(2-methylphenyl)sulfanylmethyl]phenyl]prop-2-enoate Openeye Name: isopropyl (E)-2-cyano-3-[2,5-dimethyl-3-(o-tolylsulfanylmethyl)phenyl]prop-2-enoate CAS Name: (E)-2-cyano-3-[2,5-dimethyl-3-[[(2-methylphenyl)thio]methyl]phenyl]-2-propenoic acid propan-2-yl ester IUPAC Name: propan-2-yl (E)-2-cyano-3-[2,5-dimethyl-3-[(2-methylphenyl)sulfanylmethyl]phenyl]prop-2-enoate Traditional Name: (E)-2-cyano-3-[2,5-dimethyl-3-[(o-tolylthio)methyl]phenyl]acrylic acid isopropyl ester Formula: C23H25NO2S MolecularWeight: 379.5151

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1SCC2=C(C(=CC(=C2)C)C=C(C#N)C(=O)OC(C)C)C

Isomeric SMILES

CC1=CC=CC=C1SCC2=C(C(=CC(=C2)C)/C=C(\C#N)/C(=O)OC(C)C)C

InChI

InChI=1S/C23H25NO2S/c1-15(2)26-23(25)20(13-24)12-19-10-16(3)11-21(18(19)5)14-27-22-9-7-6-8-17(22)4/h6-12,15H,14H2,1-5H3/b20-12+