diethyl 2-methyl-6-methylsulfanyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: diethyl 2-methyl-6-methylsulfanyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: diethyl 2-methyl-6-methylsulfanyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2-methyl-6-(methylthio)-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 2-methyl-6-methylsulfanyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2-methyl-6-(methylthio)-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester Formula: C19H22N2O6S MolecularWeight: 406.45278

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N2O6S/c1-5-26-18(22)14-11(3)20-17(28-4)16(19(23)27-6-2)15(14)12-8-7-9-13(10-12)21(24)25/h7-10,15,20H,5-6H2,1-4H3