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CAS 898782-68-8

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Ethyl η-oxo-2-(4-thiomorpholinylmethyl)benzeneoctanoate

Description:
Ethyl η-oxo-2-(4-thiomorpholinylmethyl)benzeneoctanoate, identified by its CAS number 898782-68-8, is a chemical compound that features a complex structure incorporating both an ester and a thiomorpholine moiety. This compound is characterized by its ethyl ester functional group, which typically contributes to its solubility in organic solvents and potential reactivity in various chemical reactions. The presence of the thiomorpholine ring suggests that it may exhibit unique pharmacological properties, potentially influencing its biological activity. The compound's structure includes a benzene ring substituted with an octanoate chain, which may enhance lipophilicity, affecting its distribution in biological systems. Additionally, the η-oxo group indicates the presence of a carbonyl functionality, which can participate in various chemical transformations. Overall, this compound's characteristics suggest potential applications in medicinal chemistry, particularly in the development of new therapeutic agents, although specific biological activities and properties would require further investigation through empirical studies.
Formula:C21H31NO3S
InChI:InChI=1/C21H31NO3S/c1-2-25-21(24)12-6-4-3-5-11-20(23)19-10-8-7-9-18(19)17-22-13-15-26-16-14-22/h7-10H,2-6,11-17H2,1H3
InChI key:InChIKey=DUHWTYQBTBHJQL-UHFFFAOYSA-N
SMILES:C(CCCCCCC(OCC)=O)(=O)C1=C(CN2CCSCC2)C=CC=C1
Synonyms:
  • Benzeneoctanoic acid, η-oxo-2-(4-thiomorpholinylmethyl)-, ethyl ester
  • Ethyl η-oxo-2-(4-thiomorpholinylmethyl)benzeneoctanoate
  • ETHYL 8-OXO-8-[2-(THIOMORPHOLINOMETHYL)PHENYL]OCTANOATE
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