[2-[ethanoyl-(2-fluorophenyl)amino]-1,3-thiazol-4-yl]methyl 5-bromanylpyridine-3-carboxylate

Systemtic Name: [2-[ethanoyl-(2-fluorophenyl)amino]-1,3-thiazol-4-yl]methyl 5-bromanylpyridine-3-carboxylate Openeye Name: [2-(N-acetyl-2-fluoro-anilino)thiazol-4-yl]methyl 5-bromopyridine-3-carboxylate CAS Name: 5-bromo-3-pyridinecarboxylic acid [2-(N-acetyl-2-fluoroanilino)-4-thiazolyl]methyl ester IUPAC Name: [2-(N-acetyl-2-fluoroanilino)-1,3-thiazol-4-yl]methyl 5-bromopyridine-3-carboxylate Traditional Name: 5-bromonicotinic acid [2-(N-acetyl-2-fluoro-anilino)thiazol-4-yl]methyl ester Formula: C18H13BrFN3O3S MolecularWeight: 450.281523

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(C1=CC=CC=C1F)C2=NC(=CS2)COC(=O)C3=CC(=CN=C3)Br

Isomeric SMILES

CC(=O)N(C1=CC=CC=C1F)C2=NC(=CS2)COC(=O)C3=CC(=CN=C3)Br

InChI

InChI=1S/C18H13BrFN3O3S/c1-11(24)23(16-5-3-2-4-15(16)20)18-22-14(10-27-18)9-26-17(25)12-6-13(19)8-21-7-12/h2-8,10H,9H2,1H3