(4-bromanyl-2-fluoranyl-phenyl)methyl 3-methyl-2-(thiophen-2-ylcarbonylamino)butanoate

Systemtic Name: (4-bromanyl-2-fluoranyl-phenyl)methyl 3-methyl-2-(thiophen-2-ylcarbonylamino)butanoate Openeye Name: (4-bromo-2-fluoro-phenyl)methyl 3-methyl-2-(thiophene-2-carbonylamino)butanoate CAS Name: 3-methyl-2-[[oxo(thiophen-2-yl)methyl]amino]butanoic acid (4-bromo-2-fluorophenyl)methyl ester IUPAC Name: (4-bromo-2-fluorophenyl)methyl 3-methyl-2-(thiophene-2-carbonylamino)butanoate Traditional Name: 3-methyl-2-(2-thenoylamino)butyric acid (4-bromo-2-fluoro-benzyl) ester Formula: C17H17BrFNO3S MolecularWeight: 414.289183

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC1=C(C=C(C=C1)Br)F)NC(=O)C2=CC=CS2

Isomeric SMILES

CC(C)C(C(=O)OCC1=C(C=C(C=C1)Br)F)NC(=O)C2=CC=CS2

InChI

InChI=1S/C17H17BrFNO3S/c1-10(2)15(20-16(21)14-4-3-7-24-14)17(22)23-9-11-5-6-12(18)8-13(11)19/h3-8,10,15H,9H2,1-2H3,(H,20,21)