4-[(3-methylsulfanylphenyl)amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[(3-methylsulfanylphenyl)amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-(3-methylsulfanylanilino)-4-oxo-butanoic acid CAS Name: 4-[3-(methylthio)anilino]-4-oxobutanoic acid IUPAC Name: 4-(3-methylsulfanylanilino)-4-oxobutanoic acid Traditional Name: 4-keto-4-[3-(methylthio)anilino]butyric acid Formula: C11H13NO3S MolecularWeight: 239.29082

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=O)CCC(=O)O

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=O)CCC(=O)O

InChI

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