diethyl 4-(3-chlorophenyl)-2-(4,5-dihydro-1H-imidazol-2-ylsulfanylmethyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: diethyl 4-(3-chlorophenyl)-2-(4,5-dihydro-1H-imidazol-2-ylsulfanylmethyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: diethyl 4-(3-chlorophenyl)-2-(4,5-dihydro-1H-imidazol-2-ylsulfanylmethyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 4-(3-chlorophenyl)-2-[(4,5-dihydro-1H-imidazol-2-ylthio)methyl]-6-methyl-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 4-(3-chlorophenyl)-2-(4,5-dihydro-1H-imidazol-2-ylsulfanylmethyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 4-(3-chlorophenyl)-2-[(2-imidazolin-2-ylthio)methyl]-6-methyl-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester Formula: C22H26ClN3O4S MolecularWeight: 463.97754

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)Cl)C(=O)OCC)CSC3=NCCN3)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)Cl)C(=O)OCC)CSC3=NCCN3)C

InChI

InChI=1S/C22H26ClN3O4S/c1-4-29-20(27)17-13(3)26-16(12-31-22-24-9-10-25-22)19(21(28)30-5-2)18(17)14-7-6-8-15(23)11-14/h6-8,11,18,26H,4-5,9-10,12H2,1-3H3,(H,24,25)