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

Systemtic Name: 2-[2-ethanoylsulfanylpropanoyl-(4-methylphenyl)amino]ethanoic acid Openeye Name: 2-[N-(2-acetylsulfanylpropanoyl)-4-methyl-anilino]acetic acid CAS Name: 2-(N-[2-(acetylthio)-1-oxopropyl]-4-methylanilino)acetic acid IUPAC Name: 2-[N-(2-acetylsulfanylpropanoyl)-4-methylanilino]acetic acid Traditional Name: 2-[N-[2-(acetylthio)propanoyl]-4-methyl-anilino]acetic acid Formula: C14H17NO4S MolecularWeight: 295.35408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17NO4S/c1-9-4-6-12(7-5-9)15(8-13(17)18)14(19)10(2)20-11(3)16/h4-7,10H,8H2,1-3H3,(H,17,18)