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CAS 101182-25-6

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5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid,3-(chloromethyl)-8-oxo-7-[(2-thienylacetyl)amino]-,(4-methoxyphenyl)methyl ester, (6R,7R)-

Description:
5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-(chloromethyl)-8-oxo-7-[(2-thienylacetyl)amino]-, (4-methoxyphenyl)methyl ester, (6R,7R)- is a complex organic compound characterized by its bicyclic structure, which includes a sulfur atom and an azabicyclic framework. This compound features a carboxylic acid functional group, a chloromethyl group, and an oxo group, contributing to its reactivity and potential biological activity. The presence of a thienylacetyl moiety suggests potential interactions with biological targets, making it of interest in medicinal chemistry. The (4-methoxyphenyl)methyl ester indicates that it may possess lipophilic properties, enhancing its ability to cross biological membranes. The stereochemistry, denoted by (6R,7R)-, implies specific spatial arrangements of atoms that can influence the compound's pharmacological profile. Overall, this compound's unique structural features may confer specific properties, making it a candidate for further investigation in drug development or other applications in organic synthesis.
Formula:C22H21ClN2O5S2
InChI:InChI=1S/C18H15NO8S2.2Na/c20-28(21,22)26-14-10-8-13(9-11-14)18(16-6-3-4-12-19-16)15-5-1-2-7-17(15)27-29(23,24)25;;/h1-12,18H,(H,20,21,22)(H,23,24,25);;/q;2*+1/p-2
InChI key:BCLUBMNWNDZSHE-UHFFFAOYSA-L
SMILES:C1=CC=C(C(=C1)C(C2=CC=C(C=C2)OS(=O)(=O)[O-])C3=CC=CC=N3)OS(=O)(=O)[O-].[Na+].[Na+]
Found 3 products.