diethyl 2-(2-benzamidoethylsulfanylmethyl)-4-(3-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: diethyl 2-(2-benzamidoethylsulfanylmethyl)-4-(3-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: diethyl 2-(2-benzamidoethylsulfanylmethyl)-4-(3-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2-[(2-benzamidoethylthio)methyl]-4-(3-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 2-(2-benzamidoethylsulfanylmethyl)-4-(3-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2-[(2-benzamidoethylthio)methyl]-4-(3-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester Formula: C28H31ClN2O5S MolecularWeight: 543.07414

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)Cl)C(=O)OCC)CSCCNC(=O)C3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)Cl)C(=O)OCC)CSCCNC(=O)C3=CC=CC=C3)C

InChI

InChI=1S/C28H31ClN2O5S/c1-4-35-27(33)23-18(3)31-22(17-37-15-14-30-26(32)19-10-7-6-8-11-19)25(28(34)36-5-2)24(23)20-12-9-13-21(29)16-20/h6-13,16,24,31H,4-5,14-15,17H2,1-3H3,(H,30,32)