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

Systemtic Name: 2-[(2-chloranyl-4-fluoranyl-phenyl)carbonylamino]-3-methyl-3-sulfanyl-butanoic acid Openeye Name: 2-[(2-chloro-4-fluoro-benzoyl)amino]-3-methyl-3-sulfanyl-butanoic acid CAS Name: 2-[[(2-chloro-4-fluorophenyl)-oxomethyl]amino]-3-mercapto-3-methylbutanoic acid IUPAC Name: 2-[(2-chloro-4-fluorobenzoyl)amino]-3-methyl-3-sulfanylbutanoic acid Traditional Name: 2-[(2-chloro-4-fluoro-benzoyl)amino]-3-mercapto-3-methyl-butyric acid Formula: C12H13ClFNO3S MolecularWeight: 305.752923

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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)Cl)S

Isomeric SMILES

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

InChI

InChI=1S/C12H13ClFNO3S/c1-12(2,19)9(11(17)18)15-10(16)7-4-3-6(14)5-8(7)13/h3-5,9,19H,1-2H3,(H,15,16)(H,17,18)