CAS 898762-92-0

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

Description:

Ethyl 3-[3-(thiomorpholinomethyl)benzoyl]benzoate is a chemical compound characterized by its complex structure, which includes an ethyl ester group and a thiomorpholine moiety. This compound features a benzoyl group attached to a benzoate, indicating it has both aromatic and aliphatic characteristics. The presence of the thiomorpholine ring suggests potential applications in medicinal chemistry, as thiomorpholines are often associated with biological activity. The compound's molecular structure may contribute to its solubility and reactivity, influencing its behavior in various chemical environments. Additionally, the presence of functional groups such as esters and amides can affect its interactions with other molecules, making it of interest in drug design and synthesis. Its CAS number, 898762-92-0, allows for easy identification in chemical databases, facilitating research and development in fields such as pharmaceuticals and organic synthesis. Overall, this compound exemplifies the intricate relationship between molecular structure and chemical properties, which is crucial for its potential applications.

Formula: C₂₁H₂₃NO₃S

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

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

Synonyms:

• 3-CARBOETHOXY-3'-THIOMORPHOLINOMETHYL BENZOPHENONE
• Ethyl 3-(3-(thiomorpholinomethyl)benzoyl)benzoate
• Benzoic acid, 3-[3-(4-thiomorpholinylmethyl)benzoyl]-, ethyl ester