[2-[(4-bromanyl-2-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate

Systemtic Name: [2-[(4-bromanyl-2-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate Openeye Name: [2-(4-bromo-2-fluoro-anilino)-2-oxo-ethyl] 3-methyl-5-(methylamino)isothiazole-4-carboxylate CAS Name: 3-methyl-5-(methylamino)-4-isothiazolecarboxylic acid [2-(4-bromo-2-fluoroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-bromo-2-fluoroanilino)-2-oxoethyl] 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate Traditional Name: 3-methyl-5-(methylamino)isothiazole-4-carboxylic acid [2-(4-bromo-2-fluoro-anilino)-2-keto-ethyl] ester Formula: C14H13BrFN3O3S MolecularWeight: 402.238723

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NSC(=C1C(=O)OCC(=O)NC2=C(C=C(C=C2)Br)F)NC

Isomeric SMILES

CC1=NSC(=C1C(=O)OCC(=O)NC2=C(C=C(C=C2)Br)F)NC

InChI

InChI=1S/C14H13BrFN3O3S/c1-7-12(13(17-2)23-19-7)14(21)22-6-11(20)18-10-4-3-8(15)5-9(10)16/h3-5,17H,6H2,1-2H3,(H,18,20)