5-[(2-methylsulfanylphenyl)amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[(2-methylsulfanylphenyl)amino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-(2-methylsulfanylanilino)-5-oxo-pentanoic acid CAS Name: 5-[2-(methylthio)anilino]-5-oxopentanoic acid IUPAC Name: 5-(2-methylsulfanylanilino)-5-oxopentanoic acid Traditional Name: 5-keto-5-[2-(methylthio)anilino]valeric acid Formula: C12H15NO3S MolecularWeight: 253.3174

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1NC(=O)CCCC(=O)O

Isomeric SMILES

CSC1=CC=CC=C1NC(=O)CCCC(=O)O

InChI

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