2-[(3,5-dimethylphenyl)carbonylamino]-3-methyl-3-sulfanyl-butanoic acid

Systemtic Name: 2-[(3,5-dimethylphenyl)carbonylamino]-3-methyl-3-sulfanyl-butanoic acid Openeye Name: 2-[(3,5-dimethylbenzoyl)amino]-3-methyl-3-sulfanyl-butanoic acid CAS Name: 2-[[(3,5-dimethylphenyl)-oxomethyl]amino]-3-mercapto-3-methylbutanoic acid IUPAC Name: 2-[(3,5-dimethylbenzoyl)amino]-3-methyl-3-sulfanylbutanoic acid Traditional Name: 2-[(3,5-dimethylbenzoyl)amino]-3-mercapto-3-methyl-butyric acid Formula: C14H19NO3S MolecularWeight: 281.37056

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19NO3S/c1-8-5-9(2)7-10(6-8)12(16)15-11(13(17)18)14(3,4)19/h5-7,11,19H,1-4H3,(H,15,16)(H,17,18)