ethyl (E)-2-cyano-3-[2,4-dimethyl-5-[(4-methylphenyl)sulfanylmethyl]phenyl]prop-2-enoate

Systemtic Name: ethyl (E)-2-cyano-3-[2,4-dimethyl-5-[(4-methylphenyl)sulfanylmethyl]phenyl]prop-2-enoate Openeye Name: ethyl (E)-2-cyano-3-[2,4-dimethyl-5-(p-tolylsulfanylmethyl)phenyl]prop-2-enoate CAS Name: (E)-2-cyano-3-[2,4-dimethyl-5-[[(4-methylphenyl)thio]methyl]phenyl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-2-cyano-3-[2,4-dimethyl-5-[(4-methylphenyl)sulfanylmethyl]phenyl]prop-2-enoate Traditional Name: (E)-2-cyano-3-[2,4-dimethyl-5-[(p-tolylthio)methyl]phenyl]acrylic acid ethyl ester Formula: C22H23NO2S MolecularWeight: 365.48852

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC1=CC(=C(C=C1C)C)CSC2=CC=C(C=C2)C)C#N

Isomeric SMILES

CCOC(=O)/C(=C/C1=CC(=C(C=C1C)C)CSC2=CC=C(C=C2)C)/C#N

InChI

InChI=1S/C22H23NO2S/c1-5-25-22(24)19(13-23)11-18-12-20(17(4)10-16(18)3)14-26-21-8-6-15(2)7-9-21/h6-12H,5,14H2,1-4H3/b19-11+