(E)-2-diazonio-4-ethanoylsulfanyl-3-oxidanylidene-4-(2-oxidanylideneazetidin-1-yl)-1-prop-2-enoxy-but-1-en-1-olate

Systemtic Name: (E)-2-diazonio-4-ethanoylsulfanyl-3-oxidanylidene-4-(2-oxidanylideneazetidin-1-yl)-1-prop-2-enoxy-but-1-en-1-olate Openeye Name: (E)-4-acetylsulfanyl-1-allyloxy-2-diazonio-3-oxo-4-(2-oxoazetidin-1-yl)but-1-en-1-olate CAS Name: (E)-4-(acetylthio)-2-diazonio-3-oxo-4-(2-oxo-1-azetidinyl)-1-prop-2-enoxy-1-buten-1-olate IUPAC Name: (E)-4-acetylsulfanyl-2-diazonio-3-oxo-4-(2-oxoazetidin-1-yl)-1-prop-2-enoxybut-1-en-1-olate Traditional Name: (E)-4-(acetylthio)-1-allyloxy-2-diazonio-3-keto-4-(2-ketoazetidin-1-yl)but-1-en-1-olate Formula: C12H13N3O5S MolecularWeight: 311.31372

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC(C(=O)C(=C([O-])OCC=C)[N+]#N)N1CCC1=O

Isomeric SMILES

CC(=O)SC(C(=O)/C(=C(/[O-])\OCC=C)/[N+]#N)N1CCC1=O

InChI

InChI=1S/C12H13N3O5S/c1-3-6-20-12(19)9(14-13)10(18)11(21-7(2)16)15-5-4-8(15)17/h3,11H,1,4-6H2,2H3