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CAS 5919-29-9

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2-Acetylamino-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester

Description:
2-Acetylamino-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester, with CAS number 5919-29-9, is a chemical compound characterized by its unique structure that includes a benzothiophene core. This compound features an acetylamino group and an ethyl ester functional group, which contribute to its reactivity and solubility properties. Typically, compounds of this nature exhibit moderate to high lipophilicity due to the presence of the aromatic and thiophene rings, which can influence their biological activity and interaction with other molecules. The presence of the carboxylic acid moiety, even in its esterified form, suggests potential for hydrogen bonding and reactivity in various chemical environments. This compound may be of interest in medicinal chemistry and drug development, particularly for its potential pharmacological properties. However, specific applications and biological activities would require further investigation through empirical studies. Safety data and handling precautions should be considered, as with any chemical substance, to ensure proper laboratory practices.
Formula:C13H17NO3S
InChI:InChI=1/C13H17NO3S/c1-3-17-13(16)11-9-6-4-5-7-10(9)18-12(11)14-8(2)15/h3-7H2,1-2H3,(H,14,15)
InChI key:InChIKey=MYGDFSFTVVUJHF-UHFFFAOYSA-N
SMILES:C(OCC)(=O)C=1C2=C(SC1NC(C)=O)CCCC2
Synonyms:
  • 2-Acetylamino-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester
  • Benzo[b]thiophene-3-carboxylic acid, 2-(acetylamino)-4,5,6,7-tetrahydro-, ethyl ester
  • Benzo[b]thiophene-3-carboxylic acid, 2-acetamido-4,5,6,7-tetrahydro-, ethyl ester
  • Ethyl 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
  • NSC 158556
  • ethyl 2-acetylamino-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
  • See more synonyms
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