(2-oxidanylidene-3-phenylsulfanyl-butyl) ethanoate

Systemtic Name: (2-oxidanylidene-3-phenylsulfanyl-butyl) ethanoate Openeye Name: (2-oxo-3-phenylsulfanyl-butyl) acetate CAS Name: acetic acid [2-oxo-3-(phenylthio)butyl] ester IUPAC Name: (2-oxo-3-phenylsulfanylbutyl) acetate Traditional Name: acetic acid [2-keto-3-(phenylthio)butyl] ester Formula: C12H14O3S MolecularWeight: 238.30276

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14O3S/c1-9(12(14)8-15-10(2)13)16-11-6-4-3-5-7-11/h3-7,9H,8H2,1-2H3