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

Systemtic Name: 2-[(3,5-dimethyl-4-sulfanyl-phenyl)amino]ethanoic acid Openeye Name: 2-(3,5-dimethyl-4-sulfanyl-anilino)acetic acid CAS Name: 2-(4-mercapto-3,5-dimethylanilino)acetic acid IUPAC Name: 2-(3,5-dimethyl-4-sulfanylanilino)acetic acid Traditional Name: 2-(4-mercapto-3,5-dimethyl-anilino)acetic acid Formula: C10H13NO2S MolecularWeight: 211.28072

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H13NO2S/c1-6-3-8(11-5-9(12)13)4-7(2)10(6)14/h3-4,11,14H,5H2,1-2H3,(H,12,13)