3,3-dimethyl-2-[2-(2-methylphenyl)sulfanylethanoylamino]butanoic acid

Systemtic Name: 3,3-dimethyl-2-[2-(2-methylphenyl)sulfanylethanoylamino]butanoic acid Openeye Name: 3,3-dimethyl-2-[[2-(o-tolylsulfanyl)acetyl]amino]butanoic acid CAS Name: 3,3-dimethyl-2-[[2-[(2-methylphenyl)thio]-1-oxoethyl]amino]butanoic acid IUPAC Name: 3,3-dimethyl-2-[[2-(2-methylphenyl)sulfanylacetyl]amino]butanoic acid Traditional Name: 3,3-dimethyl-2-[[2-(o-tolylthio)acetyl]amino]butyric acid Formula: C15H21NO3S MolecularWeight: 295.39714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1SCC(=O)NC(C(=O)O)C(C)(C)C

Isomeric SMILES

CC1=CC=CC=C1SCC(=O)NC(C(=O)O)C(C)(C)C

InChI

InChI=1S/C15H21NO3S/c1-10-7-5-6-8-11(10)20-9-12(17)16-13(14(18)19)15(2,3)4/h5-8,13H,9H2,1-4H3,(H,16,17)(H,18,19)