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

Systemtic Name: 2-methyl-3-[(3-methylsulfanylphenyl)amino]propanoic acid Openeye Name: 2-methyl-3-(3-methylsulfanylanilino)propanoic acid CAS Name: 2-methyl-3-[3-(methylthio)anilino]propanoic acid IUPAC Name: 2-methyl-3-(3-methylsulfanylanilino)propanoic acid Traditional Name: 2-methyl-3-[3-(methylthio)anilino]propionic acid Formula: C11H15NO2S MolecularWeight: 225.3073

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC1=CC(=CC=C1)SC)C(=O)O

Isomeric SMILES

CC(CNC1=CC(=CC=C1)SC)C(=O)O

InChI

InChI=1S/C11H15NO2S/c1-8(11(13)14)7-12-9-4-3-5-10(6-9)15-2/h3-6,8,12H,7H2,1-2H3,(H,13,14)