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

Systemtic Name: 2-[(3-fluoranyl-4-methyl-phenyl)carbonylamino]-3-methyl-3-sulfanyl-butanoic acid Openeye Name: 2-[(3-fluoro-4-methyl-benzoyl)amino]-3-methyl-3-sulfanyl-butanoic acid CAS Name: 2-[[(3-fluoro-4-methylphenyl)-oxomethyl]amino]-3-mercapto-3-methylbutanoic acid IUPAC Name: 2-[(3-fluoro-4-methylbenzoyl)amino]-3-methyl-3-sulfanylbutanoic acid Traditional Name: 2-[(3-fluoro-4-methyl-benzoyl)amino]-3-mercapto-3-methyl-butyric acid Formula: C13H16FNO3S MolecularWeight: 285.334443

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC(C(=O)O)C(C)(C)S)F

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC(C(=O)O)C(C)(C)S)F

InChI

InChI=1S/C13H16FNO3S/c1-7-4-5-8(6-9(7)14)11(16)15-10(12(17)18)13(2,3)19/h4-6,10,19H,1-3H3,(H,15,16)(H,17,18)