ethyl 4-oxidanylidene-4-phenylsulfanyl-butanoate

Systemtic Name: ethyl 4-oxidanylidene-4-phenylsulfanyl-butanoate Openeye Name: ethyl 4-oxo-4-phenylsulfanyl-butanoate CAS Name: 4-oxo-4-(phenylthio)butanoic acid ethyl ester IUPAC Name: ethyl 4-oxo-4-phenylsulfanylbutanoate Traditional Name: 4-keto-4-(phenylthio)butyric acid ethyl ester Formula: C12H14O3S MolecularWeight: 238.30276

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(=O)SC1=CC=CC=C1

Isomeric SMILES

CCOC(=O)CCC(=O)SC1=CC=CC=C1

InChI

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