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

Systemtic Name: ethyl (E)-3-[3-[(4-chlorophenyl)sulfanylmethyl]-2,5-dimethyl-phenyl]-2-cyano-prop-2-enoate Openeye Name: ethyl (E)-3-[3-[(4-chlorophenyl)sulfanylmethyl]-2,5-dimethyl-phenyl]-2-cyano-prop-2-enoate CAS Name: (E)-3-[3-[[(4-chlorophenyl)thio]methyl]-2,5-dimethylphenyl]-2-cyano-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[3-[(4-chlorophenyl)sulfanylmethyl]-2,5-dimethylphenyl]-2-cyanoprop-2-enoate Traditional Name: (E)-3-[3-[[(4-chlorophenyl)thio]methyl]-2,5-dimethyl-phenyl]-2-cyano-acrylic acid ethyl ester Formula: C21H20ClNO2S MolecularWeight: 385.907

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20ClNO2S/c1-4-25-21(24)17(12-23)11-16-9-14(2)10-18(15(16)3)13-26-20-7-5-19(22)6-8-20/h5-11H,4,13H2,1-3H3/b17-11+