5-[(3-methylsulfanylphenyl)amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[(3-methylsulfanylphenyl)amino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-(3-methylsulfanylanilino)-5-oxo-pentanoic acid CAS Name: 5-[3-(methylthio)anilino]-5-oxopentanoic acid IUPAC Name: 5-(3-methylsulfanylanilino)-5-oxopentanoic acid Traditional Name: 5-keto-5-[3-(methylthio)anilino]valeric acid Formula: C12H15NO3S MolecularWeight: 253.3174

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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