[2-[(2-ethoxycarbonyl-5-phenyl-thiophen-3-yl)amino]-2-oxidanylidene-ethyl] 2-methyl-5-nitro-pyridine-3-carboxylate

Systemtic Name: [2-[(2-ethoxycarbonyl-5-phenyl-thiophen-3-yl)amino]-2-oxidanylidene-ethyl] 2-methyl-5-nitro-pyridine-3-carboxylate Openeye Name: [2-[(2-ethoxycarbonyl-5-phenyl-3-thienyl)amino]-2-oxo-ethyl] 2-methyl-5-nitro-pyridine-3-carboxylate CAS Name: 2-methyl-5-nitro-3-pyridinecarboxylic acid [2-[(2-ethoxycarbonyl-5-phenyl-3-thiophenyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(2-ethoxycarbonyl-5-phenylthiophen-3-yl)amino]-2-oxoethyl] 2-methyl-5-nitropyridine-3-carboxylate Traditional Name: 2-methyl-5-nitro-nicotinic acid [2-[(2-carbethoxy-5-phenyl-3-thienyl)amino]-2-keto-ethyl] ester Formula: C22H19N3O7S MolecularWeight: 469.46716

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(S1)C2=CC=CC=C2)NC(=O)COC(=O)C3=CC(=CN=C3C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(C=C(S1)C2=CC=CC=C2)NC(=O)COC(=O)C3=CC(=CN=C3C)[N+](=O)[O-]

InChI

InChI=1S/C22H19N3O7S/c1-3-31-22(28)20-17(10-18(33-20)14-7-5-4-6-8-14)24-19(26)12-32-21(27)16-9-15(25(29)30)11-23-13(16)2/h4-11H,3,12H2,1-2H3,(H,24,26)