ethyl 2-oxidanylidene-3-phenylsulfanyl-hexanoate

Systemtic Name: ethyl 2-oxidanylidene-3-phenylsulfanyl-hexanoate Openeye Name: ethyl 2-oxo-3-phenylsulfanyl-hexanoate CAS Name: 2-oxo-3-(phenylthio)hexanoic acid ethyl ester IUPAC Name: ethyl 2-oxo-3-phenylsulfanylhexanoate Traditional Name: 2-keto-3-(phenylthio)hexanoic acid ethyl ester Formula: C14H18O3S MolecularWeight: 266.35592

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)C(=O)OCC)SC1=CC=CC=C1

Isomeric SMILES

CCCC(C(=O)C(=O)OCC)SC1=CC=CC=C1

InChI

InChI=1S/C14H18O3S/c1-3-8-12(13(15)14(16)17-4-2)18-11-9-6-5-7-10-11/h5-7,9-10,12H,3-4,8H2,1-2H3