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

Systemtic Name: 2-[(2-methyl-3-sulfanyl-propanoyl)-phenyl-amino]ethanoic acid Openeye Name: 2-(N-(2-methyl-3-sulfanyl-propanoyl)anilino)acetic acid CAS Name: 2-(N-(3-mercapto-2-methyl-1-oxopropyl)anilino)acetic acid IUPAC Name: 2-(N-(2-methyl-3-sulfanylpropanoyl)anilino)acetic acid Traditional Name: 2-(N-(3-mercapto-2-methyl-propanoyl)anilino)acetic acid Formula: C12H15NO3S MolecularWeight: 253.3174

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15NO3S/c1-9(8-17)12(16)13(7-11(14)15)10-5-3-2-4-6-10/h2-6,9,17H,7-8H2,1H3,(H,14,15)