[2-oxidanylidene-2-[(2-phenylsulfanylphenyl)amino]ethyl] 5-bromanylpyridine-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-[(2-phenylsulfanylphenyl)amino]ethyl] 5-bromanylpyridine-3-carboxylate Openeye Name: [2-oxo-2-(2-phenylsulfanylanilino)ethyl] 5-bromopyridine-3-carboxylate CAS Name: 5-bromo-3-pyridinecarboxylic acid [2-oxo-2-[2-(phenylthio)anilino]ethyl] ester IUPAC Name: [2-oxo-2-(2-phenylsulfanylanilino)ethyl] 5-bromopyridine-3-carboxylate Traditional Name: 5-bromonicotinic acid [2-keto-2-[2-(phenylthio)anilino]ethyl] ester Formula: C20H15BrN2O3S MolecularWeight: 443.3137

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=CC=CC=C2NC(=O)COC(=O)C3=CC(=CN=C3)Br

Isomeric SMILES

C1=CC=C(C=C1)SC2=CC=CC=C2NC(=O)COC(=O)C3=CC(=CN=C3)Br

InChI

InChI=1S/C20H15BrN2O3S/c21-15-10-14(11-22-12-15)20(25)26-13-19(24)23-17-8-4-5-9-18(17)27-16-6-2-1-3-7-16/h1-12H,13H2,(H,23,24)