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

Systemtic Name: (3-oxidanylidene-4-phenylsulfanyl-butyl) ethanoate Openeye Name: (3-oxo-4-phenylsulfanyl-butyl) acetate CAS Name: acetic acid [3-oxo-4-(phenylthio)butyl] ester IUPAC Name: (3-oxo-4-phenylsulfanylbutyl) acetate Traditional Name: acetic acid [3-keto-4-(phenylthio)butyl] ester Formula: C12H14O3S MolecularWeight: 238.30276

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCC(=O)CSC1=CC=CC=C1

Isomeric SMILES

CC(=O)OCCC(=O)CSC1=CC=CC=C1

InChI

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