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

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

Click to see the large picture

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