2-[(3,5-dimethylphenyl)-(2-methyl-3-sulfanyl-propanoyl)amino]ethanoic acid

Systemtic Name: 2-[(3,5-dimethylphenyl)-(2-methyl-3-sulfanyl-propanoyl)amino]ethanoic acid Openeye Name: 2-(3,5-dimethyl-N-(2-methyl-3-sulfanyl-propanoyl)anilino)acetic acid CAS Name: 2-(N-(3-mercapto-2-methyl-1-oxopropyl)-3,5-dimethylanilino)acetic acid IUPAC Name: 2-(3,5-dimethyl-N-(2-methyl-3-sulfanylpropanoyl)anilino)acetic acid Traditional Name: 2-(N-(3-mercapto-2-methyl-propanoyl)-3,5-dimethyl-anilino)acetic acid Formula: C14H19NO3S MolecularWeight: 281.37056

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N(CC(=O)O)C(=O)C(C)CS)C

Isomeric SMILES

CC1=CC(=CC(=C1)N(CC(=O)O)C(=O)C(C)CS)C

InChI

InChI=1S/C14H19NO3S/c1-9-4-10(2)6-12(5-9)15(7-13(16)17)14(18)11(3)8-19/h4-6,11,19H,7-8H2,1-3H3,(H,16,17)