2-[(3,5-dimethyl-4-sulfanyl-phenyl)amino]propanoic acid

Systemtic Name: 2-[(3,5-dimethyl-4-sulfanyl-phenyl)amino]propanoic acid Openeye Name: 2-(3,5-dimethyl-4-sulfanyl-anilino)propanoic acid CAS Name: 2-(4-mercapto-3,5-dimethylanilino)propanoic acid IUPAC Name: 2-(3,5-dimethyl-4-sulfanylanilino)propanoic acid Traditional Name: 2-(4-mercapto-3,5-dimethyl-anilino)propionic acid Formula: C11H15NO2S MolecularWeight: 225.3073

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1S)C)NC(C)C(=O)O

Isomeric SMILES

CC1=CC(=CC(=C1S)C)NC(C)C(=O)O

InChI

InChI=1S/C11H15NO2S/c1-6-4-9(5-7(2)10(6)15)12-8(3)11(13)14/h4-5,8,12,15H,1-3H3,(H,13,14)