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

Systemtic Name: diethyl 4-(2-chlorophenyl)-2-(cyanomethylsulfanylmethyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: diethyl 4-(2-chlorophenyl)-2-(cyanomethylsulfanylmethyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 4-(2-chlorophenyl)-2-[(cyanomethylthio)methyl]-6-methyl-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 4-(2-chlorophenyl)-2-(cyanomethylsulfanylmethyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 4-(2-chlorophenyl)-2-[(cyanomethylthio)methyl]-6-methyl-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester Formula: C21H23ClN2O4S MolecularWeight: 434.93632

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2Cl)C(=O)OCC)CSCC#N)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2Cl)C(=O)OCC)CSCC#N)C

InChI

InChI=1S/C21H23ClN2O4S/c1-4-27-20(25)17-13(3)24-16(12-29-11-10-23)19(21(26)28-5-2)18(17)14-8-6-7-9-15(14)22/h6-9,18,24H,4-5,11-12H2,1-3H3