(3-nitrophenyl) 2-[2-oxidanylidene-2-[(4-propan-2-ylphenyl)amino]ethyl]sulfanylpyridine-3-carboxylate

Systemtic Name: (3-nitrophenyl) 2-[2-oxidanylidene-2-[(4-propan-2-ylphenyl)amino]ethyl]sulfanylpyridine-3-carboxylate Openeye Name: (3-nitrophenyl) 2-[2-(4-isopropylanilino)-2-oxo-ethyl]sulfanylpyridine-3-carboxylate CAS Name: 2-[[2-oxo-2-(4-propan-2-ylanilino)ethyl]thio]-3-pyridinecarboxylic acid (3-nitrophenyl) ester IUPAC Name: (3-nitrophenyl) 2-[2-oxo-2-(4-propan-2-ylanilino)ethyl]sulfanylpyridine-3-carboxylate Traditional Name: 2-[(2-cumidino-2-keto-ethyl)thio]nicotinic acid (3-nitrophenyl) ester Formula: C23H21N3O5S MolecularWeight: 451.49494

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H21N3O5S/c1-15(2)16-8-10-17(11-9-16)25-21(27)14-32-22-20(7-4-12-24-22)23(28)31-19-6-3-5-18(13-19)26(29)30/h3-13,15H,14H2,1-2H3,(H,25,27)