[2-(5-bromanylthiophen-2-yl)-2-oxidanylidene-ethyl] 2-methylsulfanylpyridine-3-carboxylate

Systemtic Name: [2-(5-bromanylthiophen-2-yl)-2-oxidanylidene-ethyl] 2-methylsulfanylpyridine-3-carboxylate Openeye Name: [2-(5-bromo-2-thienyl)-2-oxo-ethyl] 2-methylsulfanylpyridine-3-carboxylate CAS Name: 2-(methylthio)-3-pyridinecarboxylic acid [2-(5-bromo-2-thiophenyl)-2-oxoethyl] ester IUPAC Name: [2-(5-bromothiophen-2-yl)-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate Traditional Name: 2-(methylthio)nicotinic acid [2-(5-bromo-2-thienyl)-2-keto-ethyl] ester Formula: C13H10BrNO3S2 MolecularWeight: 372.2574

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=CC=N1)C(=O)OCC(=O)C2=CC=C(S2)Br

Isomeric SMILES

CSC1=C(C=CC=N1)C(=O)OCC(=O)C2=CC=C(S2)Br

InChI

InChI=1S/C13H10BrNO3S2/c1-19-12-8(3-2-6-15-12)13(17)18-7-9(16)10-4-5-11(14)20-10/h2-6H,7H2,1H3