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

Systemtic Name: (phenylmethyl) 5-cyano-4-(4-methoxycarbonylphenyl)-2-methyl-6-methylsulfanyl-1,4-dihydropyridine-3-carboxylate Openeye Name: benzyl 5-cyano-4-(4-methoxycarbonylphenyl)-2-methyl-6-methylsulfanyl-1,4-dihydropyridine-3-carboxylate CAS Name: 5-cyano-4-(4-methoxycarbonylphenyl)-2-methyl-6-(methylthio)-1,4-dihydropyridine-3-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 5-cyano-4-(4-methoxycarbonylphenyl)-2-methyl-6-methylsulfanyl-1,4-dihydropyridine-3-carboxylate Traditional Name: 4-(4-carbomethoxyphenyl)-5-cyano-2-methyl-6-(methylthio)-1,4-dihydropyridine-3-carboxylic acid benzyl ester Formula: C24H22N2O4S MolecularWeight: 434.50748

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H22N2O4S/c1-15-20(24(28)30-14-16-7-5-4-6-8-16)21(19(13-25)22(26-15)31-3)17-9-11-18(12-10-17)23(27)29-2/h4-12,21,26H,14H2,1-3H3