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CAS 898788-17-5

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Ethyl γ-oxo-3-(4-thiomorpholinylmethyl)benzenebutanoate

Description:
Ethyl γ-oxo-3-(4-thiomorpholinylmethyl)benzenebutanoate is a chemical compound characterized by its complex structure, which includes an ethyl ester functional group, a ketone (γ-oxo) moiety, and a thiomorpholine ring. The presence of the thiomorpholine group suggests potential biological activity, as thiomorpholines are often associated with pharmacological properties. This compound likely exhibits moderate to high lipophilicity due to its aromatic and aliphatic components, which can influence its solubility and permeability in biological systems. The ester functionality may also indicate susceptibility to hydrolysis, making it relevant in various chemical reactions or biological processes. Additionally, the compound's structural features suggest potential applications in medicinal chemistry, particularly in the development of new therapeutic agents. However, specific properties such as melting point, boiling point, and reactivity would require empirical data for precise characterization. As with any chemical substance, safety data and handling precautions should be consulted before use.
Formula:C17H23NO3S
InChI:InChI=1S/C17H23NO3S/c1-2-21-17(20)7-6-16(19)15-5-3-4-14(12-15)13-18-8-10-22-11-9-18/h3-5,12H,2,6-11,13H2,1H3
InChI key:InChIKey=OXHWWDKZKZANPS-UHFFFAOYSA-N
SMILES:C(C1=CC(C(CCC(OCC)=O)=O)=CC=C1)N2CCSCC2
Synonyms:
  • Benzenebutanoic acid, γ-oxo-3-(4-thiomorpholinylmethyl)-, ethyl ester
  • Ethyl γ-oxo-3-(4-thiomorpholinylmethyl)benzenebutanoate
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