[2-[(5-bromanyl-1,3-thiazol-2-yl)amino]-2-oxidanylidene-ethyl] 2-methylsulfanylpyridine-3-carboxylate

Systemtic Name: [2-[(5-bromanyl-1,3-thiazol-2-yl)amino]-2-oxidanylidene-ethyl] 2-methylsulfanylpyridine-3-carboxylate Openeye Name: [2-[(5-bromothiazol-2-yl)amino]-2-oxo-ethyl] 2-methylsulfanylpyridine-3-carboxylate CAS Name: 2-(methylthio)-3-pyridinecarboxylic acid [2-[(5-bromo-2-thiazolyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(5-bromo-1,3-thiazol-2-yl)amino]-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate Traditional Name: 2-(methylthio)nicotinic acid [2-[(5-bromothiazol-2-yl)amino]-2-keto-ethyl] ester Formula: C12H10BrN3O3S2 MolecularWeight: 388.2601

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=CC=N1)C(=O)OCC(=O)NC2=NC=C(S2)Br

Isomeric SMILES

CSC1=C(C=CC=N1)C(=O)OCC(=O)NC2=NC=C(S2)Br

InChI

InChI=1S/C12H10BrN3O3S2/c1-20-10-7(3-2-4-14-10)11(18)19-6-9(17)16-12-15-5-8(13)21-12/h2-5H,6H2,1H3,(H,15,16,17)