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

Systemtic Name: diethyl 4-(3-chlorophenyl)-2-methyl-6-(sulfanylmethyl)-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: diethyl 4-(3-chlorophenyl)-2-methyl-6-(sulfanylmethyl)-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 4-(3-chlorophenyl)-2-(mercaptomethyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 4-(3-chlorophenyl)-2-methyl-6-(sulfanylmethyl)-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 4-(3-chlorophenyl)-2-(mercaptomethyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester Formula: C19H22ClNO4S MolecularWeight: 395.90028

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22ClNO4S/c1-4-24-18(22)15-11(3)21-14(10-26)17(19(23)25-5-2)16(15)12-7-6-8-13(20)9-12/h6-9,16,21,26H,4-5,10H2,1-3H3