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

Systemtic Name: methyl (E)-3-[5-[(4-chlorophenyl)sulfanylmethyl]-2,4-dimethyl-phenyl]-2-cyano-prop-2-enoate Openeye Name: methyl (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 methyl ester IUPAC Name: methyl (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 methyl ester Formula: C20H18ClNO2S MolecularWeight: 371.88042

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC(=C(C=C1/C=C(\C#N)/C(=O)OC)CSC2=CC=C(C=C2)Cl)C

InChI

InChI=1S/C20H18ClNO2S/c1-13-8-14(2)17(12-25-19-6-4-18(21)5-7-19)10-15(13)9-16(11-22)20(23)24-3/h4-10H,12H2,1-3H3/b16-9+