diethyl 2-ethoxycarbonylsulfanyl-1,6-dimethyl-4-(3-nitrophenyl)-4H-pyridine-3,5-dicarboxylate

Systemtic Name: diethyl 2-ethoxycarbonylsulfanyl-1,6-dimethyl-4-(3-nitrophenyl)-4H-pyridine-3,5-dicarboxylate Openeye Name: diethyl 2-ethoxycarbonylsulfanyl-1,6-dimethyl-4-(3-nitrophenyl)-4H-pyridine-3,5-dicarboxylate CAS Name: 2-(ethoxycarbonylthio)-1,6-dimethyl-4-(3-nitrophenyl)-4H-pyridine-3,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 2-ethoxycarbonylsulfanyl-1,6-dimethyl-4-(3-nitrophenyl)-4H-pyridine-3,5-dicarboxylate Traditional Name: 2-(carbethoxythio)-1,6-dimethyl-4-(3-nitrophenyl)-4H-pyridine-3,5-dicarboxylic acid diethyl ester Formula: C22H26N2O8S MolecularWeight: 478.51544

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O8S/c1-6-30-20(25)16-13(4)23(5)19(33-22(27)32-8-3)18(21(26)31-7-2)17(16)14-10-9-11-15(12-14)24(28)29/h9-12,17H,6-8H2,1-5H3