[1-[(4-bromanyl-2-fluoranyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 3-methyl-2-(thiophen-2-ylcarbonylamino)butanoate

Systemtic Name: [1-[(4-bromanyl-2-fluoranyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 3-methyl-2-(thiophen-2-ylcarbonylamino)butanoate Openeye Name: [2-(4-bromo-2-fluoro-anilino)-1-methyl-2-oxo-ethyl] 3-methyl-2-(thiophene-2-carbonylamino)butanoate CAS Name: 3-methyl-2-[[oxo(thiophen-2-yl)methyl]amino]butanoic acid [1-(4-bromo-2-fluoroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-bromo-2-fluoroanilino)-1-oxopropan-2-yl] 3-methyl-2-(thiophene-2-carbonylamino)butanoate Traditional Name: 3-methyl-2-(2-thenoylamino)butyric acid [2-(4-bromo-2-fluoro-anilino)-2-keto-1-methyl-ethyl] ester Formula: C19H20BrFN2O4S MolecularWeight: 471.340503

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC(C)C(=O)NC1=C(C=C(C=C1)Br)F)NC(=O)C2=CC=CS2

Isomeric SMILES

CC(C)C(C(=O)OC(C)C(=O)NC1=C(C=C(C=C1)Br)F)NC(=O)C2=CC=CS2

InChI

InChI=1S/C19H20BrFN2O4S/c1-10(2)16(23-18(25)15-5-4-8-28-15)19(26)27-11(3)17(24)22-14-7-6-12(20)9-13(14)21/h4-11,16H,1-3H3,(H,22,24)(H,23,25)