diethyl 2,6-dimethyl-4-(2-methylsulfanyl-5-nitro-phenyl)-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: diethyl 2,6-dimethyl-4-(2-methylsulfanyl-5-nitro-phenyl)-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: diethyl 2,6-dimethyl-4-(2-methylsulfanyl-5-nitro-phenyl)-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2,6-dimethyl-4-[2-(methylthio)-5-nitrophenyl]-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 2,6-dimethyl-4-(2-methylsulfanyl-5-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2,6-dimethyl-4-[2-(methylthio)-5-nitro-phenyl]-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester Formula: C20H24N2O6S MolecularWeight: 420.47936

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C2=C(C=CC(=C2)[N+](=O)[O-])SC)C(=O)OCC)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C2=C(C=CC(=C2)[N+](=O)[O-])SC)C(=O)OCC)C)C

InChI

InChI=1S/C20H24N2O6S/c1-6-27-19(23)16-11(3)21-12(4)17(20(24)28-7-2)18(16)14-10-13(22(25)26)8-9-15(14)29-5/h8-10,18,21H,6-7H2,1-5H3