[2-[2-(4-methylphenyl)sulfanylethylamino]-2-oxidanylidene-ethyl] 5-bromanylpyridine-3-carboxylate

Systemtic Name: [2-[2-(4-methylphenyl)sulfanylethylamino]-2-oxidanylidene-ethyl] 5-bromanylpyridine-3-carboxylate Openeye Name: [2-oxo-2-[2-(p-tolylsulfanyl)ethylamino]ethyl] 5-bromopyridine-3-carboxylate CAS Name: 5-bromo-3-pyridinecarboxylic acid [2-[2-[(4-methylphenyl)thio]ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(4-methylphenyl)sulfanylethylamino]-2-oxoethyl] 5-bromopyridine-3-carboxylate Traditional Name: 5-bromonicotinic acid [2-keto-2-[2-(p-tolylthio)ethylamino]ethyl] ester Formula: C17H17BrN2O3S MolecularWeight: 409.29748

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCNC(=O)COC(=O)C2=CC(=CN=C2)Br

Isomeric SMILES

CC1=CC=C(C=C1)SCCNC(=O)COC(=O)C2=CC(=CN=C2)Br

InChI

InChI=1S/C17H17BrN2O3S/c1-12-2-4-15(5-3-12)24-7-6-20-16(21)11-23-17(22)13-8-14(18)10-19-9-13/h2-5,8-10H,6-7,11H2,1H3,(H,20,21)