(E)-2-diazonio-3-[(2R)-4-oxidanylideneazetidin-2-yl]sulfanyl-1-phenylmethoxy-prop-1-en-1-olate

Systemtic Name: (E)-2-diazonio-3-[(2R)-4-oxidanylideneazetidin-2-yl]sulfanyl-1-phenylmethoxy-prop-1-en-1-olate Openeye Name: (E)-1-benzyloxy-2-diazonio-3-[(2R)-4-oxoazetidin-2-yl]sulfanyl-prop-1-en-1-olate CAS Name: (E)-2-diazonio-3-[[(2R)-4-oxo-2-azetidinyl]thio]-1-phenylmethoxy-1-propen-1-olate IUPAC Name: (E)-2-diazonio-3-[(2R)-4-oxoazetidin-2-yl]sulfanyl-1-phenylmethoxyprop-1-en-1-olate Traditional Name: (E)-1-benzoxy-2-diazonio-3-[[(2R)-4-ketoazetidin-2-yl]thio]prop-1-en-1-olate Formula: C13H13N3O3S MolecularWeight: 291.32562

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Descriptors Computed from Structure

Canonical SMILES:

C1C(NC1=O)SCC(=C([O-])OCC2=CC=CC=C2)[N+]#N

Isomeric SMILES

C1[C@H](NC1=O)SC/C(=C(/[O-])\OCC2=CC=CC=C2)/[N+]#N

InChI

InChI=1S/C13H13N3O3S/c14-16-10(8-20-12-6-11(17)15-12)13(18)19-7-9-4-2-1-3-5-9/h1-5,12H,6-8H2,(H-,15,17,18)/b13-10+/t12-/m1/s1