[(2S)-1-[(2-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-phenylsulfanylpyridine-3-carboxylate

Systemtic Name: [(2S)-1-[(2-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-phenylsulfanylpyridine-3-carboxylate Openeye Name: [(1S)-1-methyl-2-(2-nitroanilino)-2-oxo-ethyl] 2-phenylsulfanylpyridine-3-carboxylate CAS Name: 2-(phenylthio)-3-pyridinecarboxylic acid [(2S)-1-(2-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2-nitroanilino)-1-oxopropan-2-yl] 2-phenylsulfanylpyridine-3-carboxylate Traditional Name: 2-(phenylthio)nicotinic acid [(1S)-2-keto-1-methyl-2-(2-nitroanilino)ethyl] ester Formula: C21H17N3O5S MolecularWeight: 423.44178

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1[N+](=O)[O-])OC(=O)C2=C(N=CC=C2)SC3=CC=CC=C3

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=CC=C1[N+](=O)[O-])OC(=O)C2=C(N=CC=C2)SC3=CC=CC=C3

InChI

InChI=1S/C21H17N3O5S/c1-14(19(25)23-17-11-5-6-12-18(17)24(27)28)29-21(26)16-10-7-13-22-20(16)30-15-8-3-2-4-9-15/h2-14H,1H3,(H,23,25)/t14-/m0/s1