2-[(4-methylphenyl)-(2-sulfanylpropanoyl)amino]ethanoic acid

Systemtic Name: 2-[(4-methylphenyl)-(2-sulfanylpropanoyl)amino]ethanoic acid Openeye Name: 2-[4-methyl-N-(2-sulfanylpropanoyl)anilino]acetic acid CAS Name: 2-(N-(2-mercapto-1-oxopropyl)-4-methylanilino)acetic acid IUPAC Name: 2-[4-methyl-N-(2-sulfanylpropanoyl)anilino]acetic acid Traditional Name: 2-[N-(2-mercaptopropanoyl)-4-methyl-anilino]acetic acid Formula: C12H15NO3S MolecularWeight: 253.3174

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15NO3S/c1-8-3-5-10(6-4-8)13(7-11(14)15)12(16)9(2)17/h3-6,9,17H,7H2,1-2H3,(H,14,15)