CAS 898782-51-9

ethyl 3-[4-(thiomorpholinomethyl)benzoyl]benzoate

Description:

Ethyl 3-[4-(thiomorpholinomethyl)benzoyl]benzoate, identified by its CAS number 898782-51-9, is a chemical compound characterized by its complex structure, which includes an ethyl ester group and a thiomorpholine moiety. This compound typically exhibits properties associated with both aromatic and aliphatic systems, contributing to its potential solubility in organic solvents. The presence of the thiomorpholine ring suggests that it may possess unique reactivity and biological activity, making it of interest in medicinal chemistry and drug development. The benzoyl and benzoate functionalities indicate that it may participate in various chemical reactions, including esterification and acylation. Additionally, the compound's molecular structure may influence its pharmacokinetic properties, such as absorption, distribution, metabolism, and excretion (ADME). Overall, ethyl 3-[4-(thiomorpholinomethyl)benzoyl]benzoate represents a versatile compound with potential applications in pharmaceuticals and organic synthesis, although specific biological activities and safety profiles would require further investigation.

Formula: C₂₁H₂₃NO₃S

InChI: InChI=1/C21H23NO3S/c1-2-25-21(24)19-5-3-4-18(14-19)20(23)17-8-6-16(7-9-17)15-22-10-12-26-13-11-22/h3-9,14H,2,10-13,15H2,1H3

SMILES: CCOC(=O)c1cccc(c1)C(=O)c1ccc(cc1)CN1CCSCC1