(phenylmethyl) 3-cyano-4-(3,4-dimethoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyridine-5-carboxylate

Systemtic Name: (phenylmethyl) 3-cyano-4-(3,4-dimethoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyridine-5-carboxylate Openeye Name: benzyl 3-cyano-4-(3,4-dimethoxyphenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyridine-5-carboxylate CAS Name: 3-cyano-4-(3,4-dimethoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyridine-5-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3-cyano-4-(3,4-dimethoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyridine-5-carboxylate Traditional Name: 3-cyano-4-(3,4-dimethoxyphenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyridine-5-carboxylic acid benzyl ester Formula: C23H22N2O4S MolecularWeight: 422.49678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(C(=S)N1)C#N)C2=CC(=C(C=C2)OC)OC)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(C(C(=S)N1)C#N)C2=CC(=C(C=C2)OC)OC)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C23H22N2O4S/c1-14-20(23(26)29-13-15-7-5-4-6-8-15)21(17(12-24)22(30)25-14)16-9-10-18(27-2)19(11-16)28-3/h4-11,17,21H,13H2,1-3H3,(H,25,30)