(phenylmethyl) 5-cyano-4-(3,4-dimethoxyphenyl)-2-methyl-6-methylsulfanyl-1,4-dihydropyridine-3-carboxylate

Systemtic Name: (phenylmethyl) 5-cyano-4-(3,4-dimethoxyphenyl)-2-methyl-6-methylsulfanyl-1,4-dihydropyridine-3-carboxylate Openeye Name: benzyl 5-cyano-4-(3,4-dimethoxyphenyl)-2-methyl-6-methylsulfanyl-1,4-dihydropyridine-3-carboxylate CAS Name: 5-cyano-4-(3,4-dimethoxyphenyl)-2-methyl-6-(methylthio)-1,4-dihydropyridine-3-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 5-cyano-4-(3,4-dimethoxyphenyl)-2-methyl-6-methylsulfanyl-1,4-dihydropyridine-3-carboxylate Traditional Name: 5-cyano-4-(3,4-dimethoxyphenyl)-2-methyl-6-(methylthio)-1,4-dihydropyridine-3-carboxylic acid benzyl ester Formula: C24H24N2O4S MolecularWeight: 436.52336

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H24N2O4S/c1-15-21(24(27)30-14-16-8-6-5-7-9-16)22(18(13-25)23(26-15)31-4)17-10-11-19(28-2)20(12-17)29-3/h5-12,22,26H,14H2,1-4H3