8-oxidanylidene-3-[[5-(sulfomethyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-7-[2-[2,2,2-tris(fluoranyl)ethylsulfonyl]ethanoylamino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 8-oxidanylidene-3-[[5-(sulfomethyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-7-[2-[2,2,2-tris(fluoranyl)ethylsulfonyl]ethanoylamino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 8-oxo-3-[[5-(sulfomethyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-7-[[2-(2,2,2-trifluoroethylsulfonyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 8-oxo-7-[[1-oxo-2-(2,2,2-trifluoroethylsulfonyl)ethyl]amino]-3-[[[5-(sulfomethyl)-1,3,4-oxadiazol-2-yl]thio]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 8-oxo-3-[[5-(sulfomethyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-7-[[2-(2,2,2-trifluoroethylsulfonyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 8-keto-3-[[[5-(sulfomethyl)-1,3,4-oxadiazol-2-yl]thio]methyl]-7-[[2-(2,2,2-trifluoroethylsulfonyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C15H15F3N4O10S4 MolecularWeight: 596.55561

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=C(N2C(S1)C(C2=O)NC(=O)CS(=O)(=O)CC(F)(F)F)C(=O)O)CSC3=NN=C(O3)CS(=O)(=O)O

Isomeric SMILES

C1C(=C(N2C(S1)C(C2=O)NC(=O)CS(=O)(=O)CC(F)(F)F)C(=O)O)CSC3=NN=C(O3)CS(=O)(=O)O

InChI

InChI=1S/C15H15F3N4O10S4/c16-15(17,18)5-35(27,28)3-7(23)19-9-11(24)22-10(13(25)26)6(1-33-12(9)22)2-34-14-21-20-8(32-14)4-36(29,30)31/h9,12H,1-5H2,(H,19,23)(H,25,26)(H,29,30,31)