4-[(2-methylsulfanylphenyl)amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[(2-methylsulfanylphenyl)amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-(2-methylsulfanylanilino)-4-oxo-butanoic acid CAS Name: 4-[2-(methylthio)anilino]-4-oxobutanoic acid IUPAC Name: 4-(2-methylsulfanylanilino)-4-oxobutanoic acid Traditional Name: 4-keto-4-[2-(methylthio)anilino]butyric acid Formula: C11H13NO3S MolecularWeight: 239.29082

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1NC(=O)CCC(=O)O

Isomeric SMILES

CSC1=CC=CC=C1NC(=O)CCC(=O)O

InChI

InChI=1S/C11H13NO3S/c1-16-9-5-3-2-4-8(9)12-10(13)6-7-11(14)15/h2-5H,6-7H2,1H3,(H,12,13)(H,14,15)