3,3-dimethyl-5-[(2-methylsulfanylphenyl)amino]-5-oxidanylidene-pentanoate

Systemtic Name: 3,3-dimethyl-5-[(2-methylsulfanylphenyl)amino]-5-oxidanylidene-pentanoate Openeye Name: 3,3-dimethyl-5-(2-methylsulfanylanilino)-5-oxo-pentanoate CAS Name: 3,3-dimethyl-5-[2-(methylthio)anilino]-5-oxopentanoate IUPAC Name: 3,3-dimethyl-5-(2-methylsulfanylanilino)-5-oxopentanoate Traditional Name: 5-keto-3,3-dimethyl-5-[2-(methylthio)anilino]valerate Formula: C14H18NO3S- MolecularWeight: 280.36262

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC(=O)NC1=CC=CC=C1SC)CC(=O)[O-]

Isomeric SMILES

CC(C)(CC(=O)NC1=CC=CC=C1SC)CC(=O)[O-]

InChI

InChI=1S/C14H19NO3S/c1-14(2,9-13(17)18)8-12(16)15-10-6-4-5-7-11(10)19-3/h4-7H,8-9H2,1-3H3,(H,15,16)(H,17,18)/p-1