[2-methyl-1-(4-methylsulfanylphenyl)-1-oxidanylidene-propan-2-yl] ethanoate

Systemtic Name: [2-methyl-1-(4-methylsulfanylphenyl)-1-oxidanylidene-propan-2-yl] ethanoate Openeye Name: [1,1-dimethyl-2-(4-methylsulfanylphenyl)-2-oxo-ethyl] acetate CAS Name: acetic acid [2-methyl-1-[4-(methylthio)phenyl]-1-oxopropan-2-yl] ester IUPAC Name: [2-methyl-1-(4-methylsulfanylphenyl)-1-oxopropan-2-yl] acetate Traditional Name: acetic acid [2-keto-1,1-dimethyl-2-[4-(methylthio)phenyl]ethyl] ester Formula: C13H16O3S MolecularWeight: 252.32934

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(C)(C)C(=O)C1=CC=C(C=C1)SC

Isomeric SMILES

CC(=O)OC(C)(C)C(=O)C1=CC=C(C=C1)SC

InChI

InChI=1S/C13H16O3S/c1-9(14)16-13(2,3)12(15)10-5-7-11(17-4)8-6-10/h5-8H,1-4H3