CAS 72625-08-2

Ethyl 4,5,6,7-tetrahydro-2-[(4-nitrobenzoyl)amino]benzo[b]thiophene-3-carboxylate

Description:

Ethyl 4,5,6,7-tetrahydro-2-[(4-nitrobenzoyl)amino]benzo[b]thiophene-3-carboxylate, with the CAS number 72625-08-2, is a synthetic organic compound characterized by its complex structure, which includes a thiophene ring fused with a benzene-like system. This compound features a carboxylate ester functional group, which contributes to its solubility and reactivity. The presence of a nitro group on the benzoyl moiety indicates potential for electrophilic reactions, while the tetrahydro structure suggests it may exhibit unique stereochemical properties. Typically, compounds of this nature are investigated for their biological activities, including potential pharmaceutical applications, due to their ability to interact with various biological targets. The ethyl ester group may enhance lipophilicity, influencing the compound's absorption and distribution in biological systems. Overall, this compound exemplifies the complexity and diversity of synthetic organic chemistry, with potential implications in medicinal chemistry and drug development.

Formula: C₁₈H₁₈N₂O₅S

InChI: InChI=1S/C18H18N2O5S/c1-2-25-18(22)15-13-5-3-4-6-14(13)26-17(15)19-16(21)11-7-9-12(10-8-11)20(23)24/h7-10H,2-6H2,1H3,(H,19,21)

InChI key: InChIKey=VMPZXMYCWVMIEL-UHFFFAOYSA-N

SMILES: C(OCC)(=O)C=1C2=C(SC1NC(=O)C3=CC=C(N(=O)=O)C=C3)CCCC2

Synonyms:

• Benzo[b]thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-[(4-nitrobenzoyl)amino]-, ethyl ester
• Ethyl 4,5,6,7-tetrahydro-2-[(4-nitrobenzoyl)amino]benzo[b]thiophene-3-carboxylate