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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N(CC(=O)O)C(=O)C(C)CS

Isomeric SMILES

CC1=CC=CC=C1N(CC(=O)O)C(=O)C(C)CS

InChI

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