ethyl 3-oxidanylidene-5-phenylsulfanyl-pentanoate

Systemtic Name: ethyl 3-oxidanylidene-5-phenylsulfanyl-pentanoate Openeye Name: ethyl 3-oxo-5-phenylsulfanyl-pentanoate CAS Name: 3-oxo-5-(phenylthio)pentanoic acid ethyl ester IUPAC Name: ethyl 3-oxo-5-phenylsulfanylpentanoate Traditional Name: 3-keto-5-(phenylthio)valeric acid ethyl ester Formula: C13H16O3S MolecularWeight: 252.32934

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(=O)CCSC1=CC=CC=C1

Isomeric SMILES

CCOC(=O)CC(=O)CCSC1=CC=CC=C1

InChI

InChI=1S/C13H16O3S/c1-2-16-13(15)10-11(14)8-9-17-12-6-4-3-5-7-12/h3-7H,2,8-10H2,1H3