(3-nitrophenyl) 2-[2-[(3-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylate

Systemtic Name: (3-nitrophenyl) 2-[2-[(3-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylate Openeye Name: (3-nitrophenyl) 2-[2-(3-methylsulfanylanilino)-2-oxo-ethyl]sulfanylpyridine-3-carboxylate CAS Name: 2-[[2-[3-(methylthio)anilino]-2-oxoethyl]thio]-3-pyridinecarboxylic acid (3-nitrophenyl) ester IUPAC Name: (3-nitrophenyl) 2-[2-(3-methylsulfanylanilino)-2-oxoethyl]sulfanylpyridine-3-carboxylate Traditional Name: 2-[[2-keto-2-[3-(methylthio)anilino]ethyl]thio]nicotinic acid (3-nitrophenyl) ester Formula: C21H17N3O5S2 MolecularWeight: 455.50678

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=O)CSC2=C(C=CC=N2)C(=O)OC3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=O)CSC2=C(C=CC=N2)C(=O)OC3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H17N3O5S2/c1-30-17-8-2-5-14(11-17)23-19(25)13-31-20-18(9-4-10-22-20)21(26)29-16-7-3-6-15(12-16)24(27)28/h2-12H,13H2,1H3,(H,23,25)