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CAS 898783-41-0

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

Description:
Ethyl η-oxo-4-(4-thiomorpholinylmethyl)benzeneoctanoate, identified by its CAS number 898783-41-0, is a chemical compound characterized by its complex structure, which includes an ethyl ester functional group, a ketone (η-oxo) moiety, and a thiomorpholine ring. This compound features a benzene ring substituted with a thiomorpholinylmethyl group, contributing to its potential biological activity. The presence of the octanoate chain suggests that it may exhibit lipophilic properties, which can influence its solubility and permeability in biological systems. The thiomorpholine component may impart unique pharmacological properties, making it of interest in medicinal chemistry. Overall, the compound's structure indicates potential applications in drug development, particularly in areas requiring compounds with specific interactions in biological systems. However, detailed studies on its reactivity, stability, and biological effects would be necessary to fully understand its characteristics and potential uses.
Formula:C21H31NO3S
InChI:InChI=1S/C21H31NO3S/c1-2-25-21(24)8-6-4-3-5-7-20(23)19-11-9-18(10-12-19)17-22-13-15-26-16-14-22/h9-12H,2-8,13-17H2,1H3
InChI key:InChIKey=YPGCXTFFQJDWOK-UHFFFAOYSA-N
SMILES:C(C1=CC=C(C(CCCCCCC(OCC)=O)=O)C=C1)N2CCSCC2
Synonyms:
  • Ethyl η-oxo-4-(4-thiomorpholinylmethyl)benzeneoctanoate
  • Benzeneoctanoic acid, η-oxo-4-(4-thiomorpholinylmethyl)-, ethyl ester
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