diethyl 2-[3-azanyl-3-(4-nitrophenyl)propyl]-6-methyl-4-(3-methylsulfanylphenyl)-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: diethyl 2-[3-azanyl-3-(4-nitrophenyl)propyl]-6-methyl-4-(3-methylsulfanylphenyl)-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: diethyl 2-[3-amino-3-(4-nitrophenyl)propyl]-6-methyl-4-(3-methylsulfanylphenyl)-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2-[3-amino-3-(4-nitrophenyl)propyl]-6-methyl-4-[3-(methylthio)phenyl]-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 2-[3-amino-3-(4-nitrophenyl)propyl]-6-methyl-4-(3-methylsulfanylphenyl)-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2-[3-amino-3-(4-nitrophenyl)propyl]-6-methyl-4-[3-(methylthio)phenyl]-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester Formula: C28H33N3O6S MolecularWeight: 539.64312

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)SC)C(=O)OCC)CCC(C3=CC=C(C=C3)[N+](=O)[O-])N)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)SC)C(=O)OCC)CCC(C3=CC=C(C=C3)[N+](=O)[O-])N)C

InChI

InChI=1S/C28H33N3O6S/c1-5-36-27(32)24-17(3)30-23(15-14-22(29)18-10-12-20(13-11-18)31(34)35)26(28(33)37-6-2)25(24)19-8-7-9-21(16-19)38-4/h7-13,16,22,25,30H,5-6,14-15,29H2,1-4H3