8-oxidanylidene-3-[[5-(sulfomethyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-7-[2,2,2-tris(fluoranylmethylsulfanyl)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-tris(fluoranylmethylsulfanyl)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-tris(fluoromethylsulfanyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 8-oxo-3-[[[5-(sulfomethyl)-1,3,4-oxadiazol-2-yl]thio]methyl]-7-[[2,2,2-tris(fluoromethylthio)-1-oxoethyl]amino]-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-tris(fluoromethylsulfanyl)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-tris(fluoromethylthio)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C16H17F3N4O8S6 MolecularWeight: 642.71339

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17F3N4O8S6/c17-4-34-16(35-5-18,36-6-19)14(27)20-9-11(24)23-10(13(25)26)7(1-32-12(9)23)2-33-15-22-21-8(31-15)3-37(28,29)30/h9,12H,1-6H2,(H,20,27)(H,25,26)(H,28,29,30)