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

Systemtic Name: diethyl 2-methyl-4-(3-nitrophenyl)-6-(propanoylsulfanylmethyl)-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: diethyl 2-methyl-4-(3-nitrophenyl)-6-(propanoylsulfanylmethyl)-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2-methyl-4-(3-nitrophenyl)-6-[(1-oxopropylthio)methyl]-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 2-methyl-4-(3-nitrophenyl)-6-(propanoylsulfanylmethyl)-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2-methyl-4-(3-nitrophenyl)-6-[(propionylthio)methyl]-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester Formula: C22H26N2O7S MolecularWeight: 462.51604

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)SCC1=C(C(C(=C(N1)C)C(=O)OCC)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCC

Isomeric SMILES

CCC(=O)SCC1=C(C(C(=C(N1)C)C(=O)OCC)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCC

InChI

InChI=1S/C22H26N2O7S/c1-5-17(25)32-12-16-20(22(27)31-7-3)19(14-9-8-10-15(11-14)24(28)29)18(13(4)23-16)21(26)30-6-2/h8-11,19,23H,5-7,12H2,1-4H3