2-[(2-bromanyl-5-fluoranyl-phenyl)carbonylamino]-3-methyl-3-sulfanyl-butanoic acid

Systemtic Name: 2-[(2-bromanyl-5-fluoranyl-phenyl)carbonylamino]-3-methyl-3-sulfanyl-butanoic acid Openeye Name: 2-[(2-bromo-5-fluoro-benzoyl)amino]-3-methyl-3-sulfanyl-butanoic acid CAS Name: 2-[[(2-bromo-5-fluorophenyl)-oxomethyl]amino]-3-mercapto-3-methylbutanoic acid IUPAC Name: 2-[(2-bromo-5-fluorobenzoyl)amino]-3-methyl-3-sulfanylbutanoic acid Traditional Name: 2-[(2-bromo-5-fluoro-benzoyl)amino]-3-mercapto-3-methyl-butyric acid Formula: C12H13BrFNO3S MolecularWeight: 350.203923

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(C(=O)O)NC(=O)C1=C(C=CC(=C1)F)Br)S

Isomeric SMILES

CC(C)(C(C(=O)O)NC(=O)C1=C(C=CC(=C1)F)Br)S

InChI

InChI=1S/C12H13BrFNO3S/c1-12(2,19)9(11(17)18)15-10(16)7-5-6(14)3-4-8(7)13/h3-5,9,19H,1-2H3,(H,15,16)(H,17,18)