2-[[2,4-bis(fluoranyl)phenyl]carbonylamino]-3-methyl-3-sulfanyl-butanoic acid

Systemtic Name: 2-[[2,4-bis(fluoranyl)phenyl]carbonylamino]-3-methyl-3-sulfanyl-butanoic acid Openeye Name: 2-[(2,4-difluorobenzoyl)amino]-3-methyl-3-sulfanyl-butanoic acid CAS Name: 2-[[(2,4-difluorophenyl)-oxomethyl]amino]-3-mercapto-3-methylbutanoic acid IUPAC Name: 2-[(2,4-difluorobenzoyl)amino]-3-methyl-3-sulfanylbutanoic acid Traditional Name: 2-[(2,4-difluorobenzoyl)amino]-3-mercapto-3-methyl-butyric acid Formula: C12H13F2NO3S MolecularWeight: 289.298326

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13F2NO3S/c1-12(2,19)9(11(17)18)15-10(16)7-4-3-6(13)5-8(7)14/h3-5,9,19H,1-2H3,(H,15,16)(H,17,18)