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CAS 70149-63-2

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5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[(3,5-dichloro-4-oxo-1(4H)-pyridinyl)acetyl]amino]-3-methyl-8-oxo-, (6R-trans)-

Description:
5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, with the CAS number 70149-63-2, is a complex organic compound characterized by its bicyclic structure that incorporates both sulfur and nitrogen atoms. This compound features a carboxylic acid functional group, which contributes to its acidity and potential reactivity. The presence of a pyridine ring, specifically a 3,5-dichloro-4-oxo substituent, indicates that it may exhibit biological activity, possibly as an antimicrobial or therapeutic agent. The stereochemistry of the compound is specified as (6R-trans), which suggests a particular spatial arrangement of its atoms that can influence its interactions and efficacy in biological systems. Additionally, the presence of multiple functional groups, including an amide linkage, suggests potential for hydrogen bonding and interactions with biological targets. Overall, this compound's unique structural features may contribute to its pharmacological properties, making it of interest in medicinal chemistry and drug development.
Formula:C15H13Cl2N3O5S
InChI:InChI=1S/C15H13Cl2N3O5S/c1-6-5-26-14-10(13(23)20(14)11(6)15(24)25)18-9(21)4-19-2-7(16)12(22)8(17)3-19/h2-3,10,14H,4-5H2,1H3,(H,18,21)(H,24,25)/t10-,14-/m1/s1
InChI key:InChIKey=HIOXARKGMQFYCS-QMTHXVAHSA-N
SMILES:C(O)(=O)C=1N2[C@@]([C@H](NC(CN3C=C(Cl)C(=O)C(Cl)=C3)=O)C2=O)(SCC1C)[H]
Synonyms:
  • 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[(3,5-dichloro-4-oxo-1(4H)-pyridinyl)acetyl]amino]-3-methyl-8-oxo-, (6R-trans)-
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