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

Systemtic Name: ethyl 2-[2-[(4-bromanyl-2-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylate Openeye Name: ethyl 2-[2-(4-bromo-2-fluoro-anilino)-2-oxo-ethyl]sulfanylpyridine-3-carboxylate CAS Name: 2-[[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]thio]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]sulfanylpyridine-3-carboxylate Traditional Name: 2-[[2-(4-bromo-2-fluoro-anilino)-2-keto-ethyl]thio]nicotinic acid ethyl ester Formula: C16H14BrFN2O3S MolecularWeight: 413.261363

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=CC=C1)SCC(=O)NC2=C(C=C(C=C2)Br)F

Isomeric SMILES

CCOC(=O)C1=C(N=CC=C1)SCC(=O)NC2=C(C=C(C=C2)Br)F

InChI

InChI=1S/C16H14BrFN2O3S/c1-2-23-16(22)11-4-3-7-19-15(11)24-9-14(21)20-13-6-5-10(17)8-12(13)18/h3-8H,2,9H2,1H3,(H,20,21)