3-methyl-2-[(2-methylsulfanylphenyl)amino]butanoic acid

Systemtic Name: 3-methyl-2-[(2-methylsulfanylphenyl)amino]butanoic acid Openeye Name: 3-methyl-2-(2-methylsulfanylanilino)butanoic acid CAS Name: 3-methyl-2-[2-(methylthio)anilino]butanoic acid IUPAC Name: 3-methyl-2-(2-methylsulfanylanilino)butanoic acid Traditional Name: 3-methyl-2-[2-(methylthio)anilino]butyric acid Formula: C12H17NO2S MolecularWeight: 239.33388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC1=CC=CC=C1SC

Isomeric SMILES

CC(C)C(C(=O)O)NC1=CC=CC=C1SC

InChI

InChI=1S/C12H17NO2S/c1-8(2)11(12(14)15)13-9-6-4-5-7-10(9)16-3/h4-8,11,13H,1-3H3,(H,14,15)