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

Systemtic Name: [2-oxidanylidene-2-(2-phenylsulfanylethylamino)ethyl] 5-bromanylpyridine-3-carboxylate Openeye Name: [2-oxo-2-(2-phenylsulfanylethylamino)ethyl] 5-bromopyridine-3-carboxylate CAS Name: 5-bromo-3-pyridinecarboxylic acid [2-oxo-2-[2-(phenylthio)ethylamino]ethyl] ester IUPAC Name: [2-oxo-2-(2-phenylsulfanylethylamino)ethyl] 5-bromopyridine-3-carboxylate Traditional Name: 5-bromonicotinic acid [2-keto-2-[2-(phenylthio)ethylamino]ethyl] ester Formula: C16H15BrN2O3S MolecularWeight: 395.2709

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCCNC(=O)COC(=O)C2=CC(=CN=C2)Br

Isomeric SMILES

C1=CC=C(C=C1)SCCNC(=O)COC(=O)C2=CC(=CN=C2)Br

InChI

InChI=1S/C16H15BrN2O3S/c17-13-8-12(9-18-10-13)16(21)22-11-15(20)19-6-7-23-14-4-2-1-3-5-14/h1-5,8-10H,6-7,11H2,(H,19,20)