2-[(2-methyl-3-sulfanyl-propanoyl)-(4-propoxyphenyl)amino]ethanoic acid

Systemtic Name: 2-[(2-methyl-3-sulfanyl-propanoyl)-(4-propoxyphenyl)amino]ethanoic acid Openeye Name: 2-(N-(2-methyl-3-sulfanyl-propanoyl)-4-propoxy-anilino)acetic acid CAS Name: 2-(N-(3-mercapto-2-methyl-1-oxopropyl)-4-propoxyanilino)acetic acid IUPAC Name: 2-(N-(2-methyl-3-sulfanylpropanoyl)-4-propoxyanilino)acetic acid Traditional Name: 2-(N-(3-mercapto-2-methyl-propanoyl)-4-propoxy-anilino)acetic acid Formula: C15H21NO4S MolecularWeight: 311.39654

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)N(CC(=O)O)C(=O)C(C)CS

Isomeric SMILES

CCCOC1=CC=C(C=C1)N(CC(=O)O)C(=O)C(C)CS

InChI

InChI=1S/C15H21NO4S/c1-3-8-20-13-6-4-12(5-7-13)16(9-14(17)18)15(19)11(2)10-21/h4-7,11,21H,3,8-10H2,1-2H3,(H,17,18)