[2-[(4-bromanyl-2-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-methylsulfanylpyridine-3-carboxylate

Systemtic Name: [2-[(4-bromanyl-2-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-methylsulfanylpyridine-3-carboxylate Openeye Name: [2-(4-bromo-2-fluoro-anilino)-2-oxo-ethyl] 2-methylsulfanylpyridine-3-carboxylate CAS Name: 2-(methylthio)-3-pyridinecarboxylic acid [2-(4-bromo-2-fluoroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-bromo-2-fluoroanilino)-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate Traditional Name: 2-(methylthio)nicotinic acid [2-(4-bromo-2-fluoro-anilino)-2-keto-ethyl] ester Formula: C15H12BrFN2O3S MolecularWeight: 399.234783

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=CC=N1)C(=O)OCC(=O)NC2=C(C=C(C=C2)Br)F

Isomeric SMILES

CSC1=C(C=CC=N1)C(=O)OCC(=O)NC2=C(C=C(C=C2)Br)F

InChI

InChI=1S/C15H12BrFN2O3S/c1-23-14-10(3-2-6-18-14)15(21)22-8-13(20)19-12-5-4-9(16)7-11(12)17/h2-7H,8H2,1H3,(H,19,20)