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CAS 1206227-47-5

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3H-1,2,3-Benzoxathiazole-3-carboxylic acid, hexahydro-, 1,1-dimethylethyl ester, 2,2-dioxide, (3aR,7aS)-

Description:
3H-1,2,3-Benzoxathiazole-3-carboxylic acid, hexahydro-, 1,1-dimethylethyl ester, 2,2-dioxide, (3aR,7aS)- is a chemical compound characterized by its complex structure, which includes a benzoxathiazole ring fused with a carboxylic acid moiety and an ester functional group. The presence of the hexahydro configuration indicates that the compound has a saturated cyclic structure, contributing to its stability and potentially influencing its reactivity. The dimethylethyl ester group suggests that the compound may exhibit lipophilic properties, which can affect its solubility and bioavailability in various environments. The stereochemistry, indicated by the (3aR,7aS) designation, implies specific spatial arrangements of atoms that can influence the compound's interactions with biological systems. Additionally, the 2,2-dioxide functionality may enhance the compound's reactivity, making it a candidate for various chemical reactions or applications in medicinal chemistry. Overall, this compound's unique structural features suggest potential utility in pharmaceuticals or agrochemicals, although specific applications would depend on further research and characterization.
Formula:C11H19NO5S
InChI:InChI=1S/C11H19NO5S/c1-11(2,3)16-10(13)12-8-6-4-5-7-9(8)17-18(12,14)15/h8-9H,4-7H2,1-3H3/t8-,9+/m1/s1
InChI key:InChIKey=QTTRZKVOSCVFJO-BDAKNGLRSA-N
SMILES:C(OC(C)(C)C)(=O)N1[C@]2([C@@](OS1(=O)=O)(CCCC2)[H])[H]
Synonyms:
  • 3H-1,2,3-Benzoxathiazole-3-carboxylic acid, hexahydro-, 1,1-dimethylethyl ester, 2,2-dioxide, (3aR,7aS)-
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