5-[(3-methylsulfanylphenyl)amino]-5-oxidanylidene-pentanoate

Systemtic Name: 5-[(3-methylsulfanylphenyl)amino]-5-oxidanylidene-pentanoate Openeye Name: 5-(3-methylsulfanylanilino)-5-oxo-pentanoate CAS Name: 5-[3-(methylthio)anilino]-5-oxopentanoate IUPAC Name: 5-(3-methylsulfanylanilino)-5-oxopentanoate Traditional Name: 5-keto-5-[3-(methylthio)anilino]valerate Formula: C12H14NO3S- MolecularWeight: 252.30946

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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)/p-1