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

Systemtic Name: methyl (E)-2-cyano-3-[2,5-dimethyl-3-[(2-methylphenyl)sulfanylmethyl]phenyl]prop-2-enoate Openeye Name: methyl (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 methyl ester IUPAC Name: methyl (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 methyl ester Formula: C21H21NO2S MolecularWeight: 351.46194

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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

Isomeric SMILES

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

InChI

InChI=1S/C21H21NO2S/c1-14-9-17(11-18(12-22)21(23)24-4)16(3)19(10-14)13-25-20-8-6-5-7-15(20)2/h5-11H,13H2,1-4H3/b18-11+