6-[6-(2-azidoethyl)-7-methylsulfanyl-imidazo[5,1-b][1,3]thiazol-6-ium-2-yl]-4-methyl-7-oxidanylidene-6-[1-(trifluoromethylsulfonyloxy)ethyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Systemtic Name: 6-[6-(2-azidoethyl)-7-methylsulfanyl-imidazo[5,1-b][1,3]thiazol-6-ium-2-yl]-4-methyl-7-oxidanylidene-6-[1-(trifluoromethylsulfonyloxy)ethyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: 6-[6-(2-azidoethyl)-7-methylsulfanyl-imidazo[5,1-b]thiazol-6-ium-2-yl]-4-methyl-7-oxo-6-[1-(trifluoromethylsulfonyloxy)ethyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: 6-[6-(2-azidoethyl)-7-(methylthio)-2-imidazo[5,1-b]thiazol-6-iumyl]-4-methyl-7-oxo-6-[1-(trifluoromethylsulfonyloxy)ethyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate IUPAC Name: 6-[6-(2-azidoethyl)-7-methylsulfanylimidazo[5,1-b][1,3]thiazol-6-ium-2-yl]-4-methyl-7-oxo-6-[1-(trifluoromethylsulfonyloxy)ethyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: 6-[6-(2-azidoethyl)-7-(methylthio)imidazo[5,1-b]thiazol-6-ium-2-yl]-7-keto-4-methyl-6-(1-triflyloxyethyl)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Formula: C19H19F3N6O6S3 MolecularWeight: 580.58097

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Descriptors Computed from Structure

Canonical SMILES:

CC1C=C(N2C1C(C2=O)(C3=CN4C=[N+](C(=C4S3)SC)CCN=[N+]=[N-])C(C)OS(=O)(=O)C(F)(F)F)C(=O)[O-]

Isomeric SMILES

CC1C=C(N2C1C(C2=O)(C3=CN4C=[N+](C(=C4S3)SC)CCN=[N+]=[N-])C(C)OS(=O)(=O)C(F)(F)F)C(=O)[O-]

InChI

InChI=1S/C19H19F3N6O6S3/c1-9-6-11(16(29)30)28-13(9)18(17(28)31,10(2)34-37(32,33)19(20,21)22)12-7-27-8-26(5-4-24-25-23)14(35-3)15(27)36-12/h6-10,13H,4-5H2,1-3H3