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

Systemtic Name: diethyl 2-methyl-4-(3-methylsulfanylphenyl)-6-[3-(4-nitrophenyl)-3-oxidanyl-propyl]-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: diethyl 2-[3-hydroxy-3-(4-nitrophenyl)propyl]-6-methyl-4-(3-methylsulfanylphenyl)-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2-[3-hydroxy-3-(4-nitrophenyl)propyl]-6-methyl-4-[3-(methylthio)phenyl]-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 2-[3-hydroxy-3-(4-nitrophenyl)propyl]-6-methyl-4-(3-methylsulfanylphenyl)-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2-[3-hydroxy-3-(4-nitrophenyl)propyl]-6-methyl-4-[3-(methylthio)phenyl]-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester Formula: C28H32N2O7S MolecularWeight: 540.62788

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-])O)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-])O)C

InChI

InChI=1S/C28H32N2O7S/c1-5-36-27(32)24-17(3)29-22(14-15-23(31)18-10-12-20(13-11-18)30(34)35)26(28(33)37-6-2)25(24)19-8-7-9-21(16-19)38-4/h7-13,16,23,25,29,31H,5-6,14-15H2,1-4H3