2-[(2-methyl-3-sulfanyl-propanoyl)-(3,4,5-trimethoxyphenyl)amino]ethanoic acid

Systemtic Name: 2-[(2-methyl-3-sulfanyl-propanoyl)-(3,4,5-trimethoxyphenyl)amino]ethanoic acid Openeye Name: 2-(3,4,5-trimethoxy-N-(2-methyl-3-sulfanyl-propanoyl)anilino)acetic acid CAS Name: 2-(N-(3-mercapto-2-methyl-1-oxopropyl)-3,4,5-trimethoxyanilino)acetic acid IUPAC Name: 2-(3,4,5-trimethoxy-N-(2-methyl-3-sulfanylpropanoyl)anilino)acetic acid Traditional Name: 2-(N-(3-mercapto-2-methyl-propanoyl)-3,4,5-trimethoxy-anilino)acetic acid Formula: C15H21NO6S MolecularWeight: 343.39534

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21NO6S/c1-9(8-23)15(19)16(7-13(17)18)10-5-11(20-2)14(22-4)12(6-10)21-3/h5-6,9,23H,7-8H2,1-4H3,(H,17,18)