diethyl 4-(2-chlorophenyl)-2-methyl-6-[(phenylmethylsulfanyl)methyl]-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: diethyl 4-(2-chlorophenyl)-2-methyl-6-[(phenylmethylsulfanyl)methyl]-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: diethyl 2-(benzylsulfanylmethyl)-4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 4-(2-chlorophenyl)-2-methyl-6-[(phenylmethylthio)methyl]-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 2-(benzylsulfanylmethyl)-4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2-[(benzylthio)methyl]-4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester Formula: C26H28ClNO4S MolecularWeight: 486.02282

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2Cl)C(=O)OCC)CSCC3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2Cl)C(=O)OCC)CSCC3=CC=CC=C3)C

InChI

InChI=1S/C26H28ClNO4S/c1-4-31-25(29)22-17(3)28-21(16-33-15-18-11-7-6-8-12-18)24(26(30)32-5-2)23(22)19-13-9-10-14-20(19)27/h6-14,23,28H,4-5,15-16H2,1-3H3