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

Systemtic Name: 2-[(4-methylphenyl)-(2-methyl-3-sulfanyl-propanoyl)amino]ethanoic acid Openeye Name: 2-(4-methyl-N-(2-methyl-3-sulfanyl-propanoyl)anilino)acetic acid CAS Name: 2-(N-(3-mercapto-2-methyl-1-oxopropyl)-4-methylanilino)acetic acid IUPAC Name: 2-(4-methyl-N-(2-methyl-3-sulfanylpropanoyl)anilino)acetic acid Traditional Name: 2-(N-(3-mercapto-2-methyl-propanoyl)-4-methyl-anilino)acetic acid Formula: C13H17NO3S MolecularWeight: 267.34398

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO3S/c1-9-3-5-11(6-4-9)14(7-12(15)16)13(17)10(2)8-18/h3-6,10,18H,7-8H2,1-2H3,(H,15,16)