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

Systemtic Name: [2-(4-methylsulfanylphenyl)-2-oxidanylidene-ethyl] 5-bromanylpyridine-3-carboxylate Openeye Name: [2-(4-methylsulfanylphenyl)-2-oxo-ethyl] 5-bromopyridine-3-carboxylate CAS Name: 5-bromo-3-pyridinecarboxylic acid [2-[4-(methylthio)phenyl]-2-oxoethyl] ester IUPAC Name: [2-(4-methylsulfanylphenyl)-2-oxoethyl] 5-bromopyridine-3-carboxylate Traditional Name: 5-bromonicotinic acid [2-keto-2-[4-(methylthio)phenyl]ethyl] ester Formula: C15H12BrNO3S MolecularWeight: 366.22968

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(=O)COC(=O)C2=CC(=CN=C2)Br

Isomeric SMILES

CSC1=CC=C(C=C1)C(=O)COC(=O)C2=CC(=CN=C2)Br

InChI

InChI=1S/C15H12BrNO3S/c1-21-13-4-2-10(3-5-13)14(18)9-20-15(19)11-6-12(16)8-17-7-11/h2-8H,9H2,1H3