(E)-4-ethanoylsulfanyl-4-[3-(1-hydroxyethyl)-4-oxidanylidene-azetidin-2-yl]-1-oxidanyl-3-oxidanylidene-1-prop-2-enoxy-but-1-ene-2-diazonium

Systemtic Name: (E)-4-ethanoylsulfanyl-4-[3-(1-hydroxyethyl)-4-oxidanylidene-azetidin-2-yl]-1-oxidanyl-3-oxidanylidene-1-prop-2-enoxy-but-1-ene-2-diazonium Openeye Name: (E)-4-acetylsulfanyl-1-allyloxy-1-hydroxy-4-[3-(1-hydroxyethyl)-4-oxo-azetidin-2-yl]-3-oxo-but-1-ene-2-diazonium CAS Name: (E)-4-(acetylthio)-1-hydroxy-4-[3-(1-hydroxyethyl)-4-oxo-2-azetidinyl]-3-oxo-1-prop-2-enoxy-1-butene-2-diazonium IUPAC Name: (E)-4-acetylsulfanyl-1-hydroxy-4-[3-(1-hydroxyethyl)-4-oxoazetidin-2-yl]-3-oxo-1-prop-2-enoxybut-1-ene-2-diazonium Traditional Name: (E)-4-(acetylthio)-1-allyloxy-1-hydroxy-4-[3-(1-hydroxyethyl)-4-keto-azetidin-2-yl]-3-keto-but-1-ene-2-diazonium Formula: C14H18N3O6S+ MolecularWeight: 356.37422

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1C(NC1=O)C(C(=O)C(=C(O)OCC=C)[N+]#N)SC(=O)C)O

Isomeric SMILES

CC(C1C(NC1=O)C(C(=O)/C(=C(/O)\OCC=C)/[N+]#N)SC(=O)C)O

InChI

InChI=1S/C14H17N3O6S/c1-4-5-23-14(22)10(17-15)11(20)12(24-7(3)19)9-8(6(2)18)13(21)16-9/h4,6,8-9,12,18H,1,5H2,2-3H3,(H-,16,20,21,22)/p+1