2-[(3-methoxyphenyl)-(2-methyl-3-sulfanyl-propanoyl)amino]ethanoic acid

Systemtic Name: 2-[(3-methoxyphenyl)-(2-methyl-3-sulfanyl-propanoyl)amino]ethanoic acid Openeye Name: 2-(3-methoxy-N-(2-methyl-3-sulfanyl-propanoyl)anilino)acetic acid CAS Name: 2-(N-(3-mercapto-2-methyl-1-oxopropyl)-3-methoxyanilino)acetic acid IUPAC Name: 2-(3-methoxy-N-(2-methyl-3-sulfanylpropanoyl)anilino)acetic acid Traditional Name: 2-(N-(3-mercapto-2-methyl-propanoyl)-3-methoxy-anilino)acetic acid Formula: C13H17NO4S MolecularWeight: 283.34338

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO4S/c1-9(8-19)13(17)14(7-12(15)16)10-4-3-5-11(6-10)18-2/h3-6,9,19H,7-8H2,1-2H3,(H,15,16)