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CAS 88330-34-1

:

2H-Thiepino[4,5-c]pyrrole-5,7-dicarboxylic acid, 2-methyl-, 6,6-dioxide

Description:
2H-Thiepino[4,5-c]pyrrole-5,7-dicarboxylic acid, 2-methyl-, 6,6-dioxide, with CAS number 88330-34-1, is a heterocyclic organic compound characterized by its unique bicyclic structure that incorporates both a thiepino and pyrrole moiety. This compound features two carboxylic acid functional groups, which contribute to its acidity and potential for forming salts or esters. The presence of the 6,6-dioxide indicates that it has two oxygen atoms incorporated into the ring structure, enhancing its reactivity and possibly influencing its electronic properties. The methyl group substitution at the 2-position of the thiepino ring can affect the compound's sterics and overall reactivity. Such compounds are often of interest in medicinal chemistry and materials science due to their potential biological activity and utility in synthesizing more complex molecules. Additionally, the presence of multiple functional groups suggests that it may participate in various chemical reactions, making it a versatile building block in organic synthesis.
Formula:C11H9NO6S
InChI:InChI=1S/C11H9NO6S/c1-12-4-6-2-8(10(13)14)19(17,18)9(11(15)16)3-7(6)5-12/h2-5H,1H3,(H,13,14)(H,15,16)
InChI key:InChIKey=VMBJWUWBPWEZSP-UHFFFAOYSA-N
SMILES:O=S1(=O)C(C(O)=O)=CC=2C(C=C1C(O)=O)=CN(C)C2
Synonyms:
  • 2H-Thiepino[4,5-c]pyrrole-5,7-dicarboxylic acid, 2-methyl-, 6,6-dioxide
  • 2-Methyl-6,6-dioxothiepino[4,5-c]pyrrole-5,7-dicarboxylic acid
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