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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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