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

Systemtic Name: [2-oxidanylidene-2-(3-phenylsulfanylpropylamino)ethyl] 5-bromanylpyridine-3-carboxylate Openeye Name: [2-oxo-2-(3-phenylsulfanylpropylamino)ethyl] 5-bromopyridine-3-carboxylate CAS Name: 5-bromo-3-pyridinecarboxylic acid [2-oxo-2-[3-(phenylthio)propylamino]ethyl] ester IUPAC Name: [2-oxo-2-(3-phenylsulfanylpropylamino)ethyl] 5-bromopyridine-3-carboxylate Traditional Name: 5-bromonicotinic acid [2-keto-2-[3-(phenylthio)propylamino]ethyl] ester Formula: C17H17BrN2O3S MolecularWeight: 409.29748

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17BrN2O3S/c18-14-9-13(10-19-11-14)17(22)23-12-16(21)20-7-4-8-24-15-5-2-1-3-6-15/h1-3,5-6,9-11H,4,7-8,12H2,(H,20,21)