methyl 3-oxidanylidene-5-phenylsulfanyl-pentanoate

Systemtic Name: methyl 3-oxidanylidene-5-phenylsulfanyl-pentanoate Openeye Name: methyl 3-oxo-5-phenylsulfanyl-pentanoate CAS Name: 3-oxo-5-(phenylthio)pentanoic acid methyl ester IUPAC Name: methyl 3-oxo-5-phenylsulfanylpentanoate Traditional Name: 3-keto-5-(phenylthio)valeric acid methyl ester Formula: C12H14O3S MolecularWeight: 238.30276

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(=O)CCSC1=CC=CC=C1

Isomeric SMILES

COC(=O)CC(=O)CCSC1=CC=CC=C1

InChI

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