[2-oxidanylidene-2-[(2-phenylsulfanylphenyl)amino]ethyl] 2-chloranylpyridine-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-[(2-phenylsulfanylphenyl)amino]ethyl] 2-chloranylpyridine-4-carboxylate Openeye Name: [2-oxo-2-(2-phenylsulfanylanilino)ethyl] 2-chloropyridine-4-carboxylate CAS Name: 2-chloro-4-pyridinecarboxylic acid [2-oxo-2-[2-(phenylthio)anilino]ethyl] ester IUPAC Name: [2-oxo-2-(2-phenylsulfanylanilino)ethyl] 2-chloropyridine-4-carboxylate Traditional Name: 2-chloroisonicotinic acid [2-keto-2-[2-(phenylthio)anilino]ethyl] ester Formula: C20H15ClN2O3S MolecularWeight: 398.8627

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=CC=CC=C2NC(=O)COC(=O)C3=CC(=NC=C3)Cl

Isomeric SMILES

C1=CC=C(C=C1)SC2=CC=CC=C2NC(=O)COC(=O)C3=CC(=NC=C3)Cl

InChI

InChI=1S/C20H15ClN2O3S/c21-18-12-14(10-11-22-18)20(25)26-13-19(24)23-16-8-4-5-9-17(16)27-15-6-2-1-3-7-15/h1-12H,13H2,(H,23,24)