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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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