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

Systemtic Name: 2-[(3,5-dimethoxyphenyl)-(2-methyl-3-sulfanyl-propanoyl)amino]ethanoic acid Openeye Name: 2-(3,5-dimethoxy-N-(2-methyl-3-sulfanyl-propanoyl)anilino)acetic acid CAS Name: 2-(N-(3-mercapto-2-methyl-1-oxopropyl)-3,5-dimethoxyanilino)acetic acid IUPAC Name: 2-(3,5-dimethoxy-N-(2-methyl-3-sulfanylpropanoyl)anilino)acetic acid Traditional Name: 2-(N-(3-mercapto-2-methyl-propanoyl)-3,5-dimethoxy-anilino)acetic acid Formula: C14H19NO5S MolecularWeight: 313.36936

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19NO5S/c1-9(8-21)14(18)15(7-13(16)17)10-4-11(19-2)6-12(5-10)20-3/h4-6,9,21H,7-8H2,1-3H3,(H,16,17)