(E)-4-ethanoylsulfanyl-1-[(2-methylpropan-2-yl)oxy]-1-oxidanyl-3-oxidanylidene-4-(4-oxidanylideneazetidin-2-yl)but-1-ene-2-diazonium

Systemtic Name: (E)-4-ethanoylsulfanyl-1-[(2-methylpropan-2-yl)oxy]-1-oxidanyl-3-oxidanylidene-4-(4-oxidanylideneazetidin-2-yl)but-1-ene-2-diazonium Openeye Name: (E)-4-acetylsulfanyl-1-tert-butoxy-1-hydroxy-3-oxo-4-(4-oxoazetidin-2-yl)but-1-ene-2-diazonium CAS Name: (E)-4-(acetylthio)-1-hydroxy-1-[(2-methylpropan-2-yl)oxy]-3-oxo-4-(4-oxo-2-azetidinyl)-1-butene-2-diazonium IUPAC Name: (E)-4-acetylsulfanyl-1-hydroxy-1-[(2-methylpropan-2-yl)oxy]-3-oxo-4-(4-oxoazetidin-2-yl)but-1-ene-2-diazonium Traditional Name: (E)-4-(acetylthio)-1-tert-butoxy-1-hydroxy-3-keto-4-(4-ketoazetidin-2-yl)but-1-ene-2-diazonium Formula: C13H18N3O5S+ MolecularWeight: 328.36412

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC(C1CC(=O)N1)C(=O)C(=C(O)OC(C)(C)C)[N+]#N

Isomeric SMILES

CC(=O)SC(C1CC(=O)N1)C(=O)/C(=C(/O)\OC(C)(C)C)/[N+]#N

InChI

InChI=1S/C13H17N3O5S/c1-6(17)22-11(7-5-8(18)15-7)10(19)9(16-14)12(20)21-13(2,3)4/h7,11H,5H2,1-4H3,(H-,15,18,19,20)/p+1