[2-[(3-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 3,3-dimethylbutanoate

Systemtic Name: [2-[(3-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 3,3-dimethylbutanoate Openeye Name: [2-(3-methylsulfanylanilino)-2-oxo-ethyl] 3,3-dimethylbutanoate CAS Name: 3,3-dimethylbutanoic acid [2-[3-(methylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-(3-methylsulfanylanilino)-2-oxoethyl] 3,3-dimethylbutanoate Traditional Name: 3,3-dimethylbutyric acid [2-keto-2-[3-(methylthio)anilino]ethyl] ester Formula: C15H21NO3S MolecularWeight: 295.39714

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)OCC(=O)NC1=CC(=CC=C1)SC

Isomeric SMILES

CC(C)(C)CC(=O)OCC(=O)NC1=CC(=CC=C1)SC

InChI

InChI=1S/C15H21NO3S/c1-15(2,3)9-14(18)19-10-13(17)16-11-6-5-7-12(8-11)20-4/h5-8H,9-10H2,1-4H3,(H,16,17)