(3-nitrophenyl) 2-[1-[(2-methoxyphenyl)amino]-1-oxidanylidene-butan-2-yl]sulfanylpyridine-3-carboxylate

Systemtic Name: (3-nitrophenyl) 2-[1-[(2-methoxyphenyl)amino]-1-oxidanylidene-butan-2-yl]sulfanylpyridine-3-carboxylate Openeye Name: (3-nitrophenyl) 2-[1-[(2-methoxyphenyl)carbamoyl]propylsulfanyl]pyridine-3-carboxylate CAS Name: 2-[[1-(2-methoxyanilino)-1-oxobutan-2-yl]thio]-3-pyridinecarboxylic acid (3-nitrophenyl) ester IUPAC Name: (3-nitrophenyl) 2-[1-(2-methoxyanilino)-1-oxobutan-2-yl]sulfanylpyridine-3-carboxylate Traditional Name: 2-[1-[(2-methoxyphenyl)carbamoyl]propylthio]nicotinic acid (3-nitrophenyl) ester Formula: C23H21N3O6S MolecularWeight: 467.49434

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC=C1OC)SC2=C(C=CC=N2)C(=O)OC3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CCC(C(=O)NC1=CC=CC=C1OC)SC2=C(C=CC=N2)C(=O)OC3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H21N3O6S/c1-3-20(21(27)25-18-11-4-5-12-19(18)31-2)33-22-17(10-7-13-24-22)23(28)32-16-9-6-8-15(14-16)26(29)30/h4-14,20H,3H2,1-2H3,(H,25,27)