[2-[(4-aminocarbonylphenyl)amino]-2-oxidanylidene-ethyl] 2-phenylsulfanylpyridine-3-carboxylate

Systemtic Name: [2-[(4-aminocarbonylphenyl)amino]-2-oxidanylidene-ethyl] 2-phenylsulfanylpyridine-3-carboxylate Openeye Name: [2-(4-carbamoylanilino)-2-oxo-ethyl] 2-phenylsulfanylpyridine-3-carboxylate CAS Name: 2-(phenylthio)-3-pyridinecarboxylic acid [2-(4-carbamoylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-carbamoylanilino)-2-oxoethyl] 2-phenylsulfanylpyridine-3-carboxylate Traditional Name: 2-(phenylthio)nicotinic acid [2-(4-carbamoylanilino)-2-keto-ethyl] ester Formula: C21H17N3O4S MolecularWeight: 407.44238

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=C(C=CC=N2)C(=O)OCC(=O)NC3=CC=C(C=C3)C(=O)N

Isomeric SMILES

C1=CC=C(C=C1)SC2=C(C=CC=N2)C(=O)OCC(=O)NC3=CC=C(C=C3)C(=O)N

InChI

InChI=1S/C21H17N3O4S/c22-19(26)14-8-10-15(11-9-14)24-18(25)13-28-21(27)17-7-4-12-23-20(17)29-16-5-2-1-3-6-16/h1-12H,13H2,(H2,22,26)(H,24,25)