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

Systemtic Name: (phenylmethyl) 5-cyano-4-(4-methoxycarbonylphenyl)-2-methyl-6-sulfanyl-1,4-dihydropyridine-3-carboxylate Openeye Name: benzyl 5-cyano-4-(4-methoxycarbonylphenyl)-2-methyl-6-sulfanyl-1,4-dihydropyridine-3-carboxylate CAS Name: 5-cyano-6-mercapto-4-(4-methoxycarbonylphenyl)-2-methyl-1,4-dihydropyridine-3-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 5-cyano-4-(4-methoxycarbonylphenyl)-2-methyl-6-sulfanyl-1,4-dihydropyridine-3-carboxylate Traditional Name: 4-(4-carbomethoxyphenyl)-5-cyano-6-mercapto-2-methyl-1,4-dihydropyridine-3-carboxylic acid benzyl ester Formula: C23H20N2O4S MolecularWeight: 420.4809

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H20N2O4S/c1-14-19(23(27)29-13-15-6-4-3-5-7-15)20(18(12-24)21(30)25-14)16-8-10-17(11-9-16)22(26)28-2/h3-11,20,25,30H,13H2,1-2H3