[(2S)-1-[(4-bromanyl-2-fluoranyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxylate

Systemtic Name: [(2S)-1-[(4-bromanyl-2-fluoranyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxylate Openeye Name: [(1S)-2-(4-bromo-2-fluoro-anilino)-1-methyl-2-oxo-ethyl] 4-methyl-2-(3-thienyl)thiazole-5-carboxylate CAS Name: 4-methyl-2-(3-thiophenyl)-5-thiazolecarboxylic acid [(2S)-1-(4-bromo-2-fluoroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-bromo-2-fluoroanilino)-1-oxopropan-2-yl] 4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxylate Traditional Name: 4-methyl-2-(3-thienyl)thiazole-5-carboxylic acid [(1S)-2-(4-bromo-2-fluoro-anilino)-2-keto-1-methyl-ethyl] ester Formula: C18H14BrFN2O3S2 MolecularWeight: 469.347763

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)C2=CSC=C2)C(=O)OC(C)C(=O)NC3=C(C=C(C=C3)Br)F

Isomeric SMILES

CC1=C(SC(=N1)C2=CSC=C2)C(=O)O[C@@H](C)C(=O)NC3=C(C=C(C=C3)Br)F

InChI

InChI=1S/C18H14BrFN2O3S2/c1-9-15(27-17(21-9)11-5-6-26-8-11)18(24)25-10(2)16(23)22-14-4-3-12(19)7-13(14)20/h3-8,10H,1-2H3,(H,22,23)/t10-/m0/s1