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

Systemtic Name: (E)-1-[(2-methylpropan-2-yl)oxy]-1-oxidanyl-3-oxidanylidene-4-(4-oxidanylideneazetidin-2-yl)-4-(phenylmethylsulfanyl)but-1-ene-2-diazonium Openeye Name: (E)-4-benzylsulfanyl-1-tert-butoxy-1-hydroxy-3-oxo-4-(4-oxoazetidin-2-yl)but-1-ene-2-diazonium CAS Name: (E)-1-hydroxy-1-[(2-methylpropan-2-yl)oxy]-3-oxo-4-(4-oxo-2-azetidinyl)-4-(phenylmethylthio)-1-butene-2-diazonium IUPAC Name: (E)-4-benzylsulfanyl-1-hydroxy-1-[(2-methylpropan-2-yl)oxy]-3-oxo-4-(4-oxoazetidin-2-yl)but-1-ene-2-diazonium Traditional Name: (E)-4-(benzylthio)-1-tert-butoxy-1-hydroxy-3-keto-4-(4-ketoazetidin-2-yl)but-1-ene-2-diazonium Formula: C18H22N3O4S+ MolecularWeight: 376.44998

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=C(C(=O)C(C1CC(=O)N1)SCC2=CC=CC=C2)[N+]#N)O

Isomeric SMILES

CC(C)(C)O/C(=C(\C(=O)C(C1CC(=O)N1)SCC2=CC=CC=C2)/[N+]#N)/O

InChI

InChI=1S/C18H21N3O4S/c1-18(2,3)25-17(24)14(21-19)15(23)16(12-9-13(22)20-12)26-10-11-7-5-4-6-8-11/h4-8,12,16H,9-10H2,1-3H3,(H-,20,22,23,24)/p+1