diethyl 1-(ethanoylsulfanylmethylsulfanylmethyl)-2-methyl-4-(3-nitrophenyl)-4H-pyridine-3,5-dicarboxylate

Systemtic Name: diethyl 1-(ethanoylsulfanylmethylsulfanylmethyl)-2-methyl-4-(3-nitrophenyl)-4H-pyridine-3,5-dicarboxylate Openeye Name: diethyl 1-(acetylsulfanylmethylsulfanylmethyl)-2-methyl-4-(3-nitrophenyl)-4H-pyridine-3,5-dicarboxylate CAS Name: 1-[[(acetylthio)methylthio]methyl]-2-methyl-4-(3-nitrophenyl)-4H-pyridine-3,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 1-(acetylsulfanylmethylsulfanylmethyl)-2-methyl-4-(3-nitrophenyl)-4H-pyridine-3,5-dicarboxylate Traditional Name: 1-[[(acetylthio)methylthio]methyl]-2-methyl-4-(3-nitrophenyl)-4H-pyridine-3,5-dicarboxylic acid diethyl ester Formula: C22H26N2O7S2 MolecularWeight: 494.58104

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O7S2/c1-5-30-21(26)18-11-23(12-32-13-33-15(4)25)14(3)19(22(27)31-6-2)20(18)16-8-7-9-17(10-16)24(28)29/h7-11,20H,5-6,12-13H2,1-4H3