2-[(2,6-dimethylphenyl)-(2-methyl-3-sulfanyl-propanoyl)amino]ethanoic acid

Systemtic Name: 2-[(2,6-dimethylphenyl)-(2-methyl-3-sulfanyl-propanoyl)amino]ethanoic acid Openeye Name: 2-(2,6-dimethyl-N-(2-methyl-3-sulfanyl-propanoyl)anilino)acetic acid CAS Name: 2-(N-(3-mercapto-2-methyl-1-oxopropyl)-2,6-dimethylanilino)acetic acid IUPAC Name: 2-(2,6-dimethyl-N-(2-methyl-3-sulfanylpropanoyl)anilino)acetic acid Traditional Name: 2-(N-(3-mercapto-2-methyl-propanoyl)-2,6-dimethyl-anilino)acetic acid Formula: C14H19NO3S MolecularWeight: 281.37056

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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