(2-oxidanylidene-4-phenylsulfanyl-butyl) ethanoate

Systemtic Name: (2-oxidanylidene-4-phenylsulfanyl-butyl) ethanoate Openeye Name: (2-oxo-4-phenylsulfanyl-butyl) acetate CAS Name: acetic acid [2-oxo-4-(phenylthio)butyl] ester IUPAC Name: (2-oxo-4-phenylsulfanylbutyl) acetate Traditional Name: acetic acid [2-keto-4-(phenylthio)butyl] ester Formula: C12H14O3S MolecularWeight: 238.30276

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC(=O)CCSC1=CC=CC=C1

Isomeric SMILES

CC(=O)OCC(=O)CCSC1=CC=CC=C1

InChI

InChI=1S/C12H14O3S/c1-10(13)15-9-11(14)7-8-16-12-5-3-2-4-6-12/h2-6H,7-9H2,1H3