(3-oxidanylidene-2-phenylsulfanyl-butan-2-yl) ethanoate

Systemtic Name: (3-oxidanylidene-2-phenylsulfanyl-butan-2-yl) ethanoate Openeye Name: (1-methyl-2-oxo-1-phenylsulfanyl-propyl) acetate CAS Name: acetic acid [3-oxo-2-(phenylthio)butan-2-yl] ester IUPAC Name: (3-oxo-2-phenylsulfanylbutan-2-yl) acetate Traditional Name: acetic acid [2-keto-1-methyl-1-(phenylthio)propyl] ester Formula: C12H14O3S MolecularWeight: 238.30276

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C)(OC(=O)C)SC1=CC=CC=C1

Isomeric SMILES

CC(=O)C(C)(OC(=O)C)SC1=CC=CC=C1

InChI

InChI=1S/C12H14O3S/c1-9(13)12(3,15-10(2)14)16-11-7-5-4-6-8-11/h4-8H,1-3H3