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

Systemtic Name: 2-[(3,5-dimethyl-4-sulfanyl-phenyl)-methyl-amino]-2-oxidanylidene-ethanoic acid Openeye Name: 2-oxo-2-(N,3,5-trimethyl-4-sulfanyl-anilino)acetic acid CAS Name: 2-(4-mercapto-N,3,5-trimethylanilino)-2-oxoacetic acid IUPAC Name: 2-oxo-2-(N,3,5-trimethyl-4-sulfanylanilino)acetic acid Traditional Name: 2-keto-2-(4-mercapto-N,3,5-trimethyl-anilino)acetic acid Formula: C11H13NO3S MolecularWeight: 239.29082

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13NO3S/c1-6-4-8(5-7(2)9(6)16)12(3)10(13)11(14)15/h4-5,16H,1-3H3,(H,14,15)