[(2S)-2-[(2S)-4-oxidanylideneazetidin-2-yl]oxypropyl] 4-methylbenzenesulfonate

Systemtic Name: [(2S)-2-[(2S)-4-oxidanylideneazetidin-2-yl]oxypropyl] 4-methylbenzenesulfonate Openeye Name: [(2S)-2-[(2S)-4-oxoazetidin-2-yl]oxypropyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2S)-2-[[(2S)-4-oxo-2-azetidinyl]oxy]propyl] ester IUPAC Name: [(2S)-2-[(2S)-4-oxoazetidin-2-yl]oxypropyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2S)-2-[(2S)-4-ketoazetidin-2-yl]oxypropyl] ester Formula: C13H17NO5S MolecularWeight: 299.34278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(C)OC2CC(=O)N2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC[C@H](C)O[C@H]2CC(=O)N2

InChI

InChI=1S/C13H17NO5S/c1-9-3-5-11(6-4-9)20(16,17)18-8-10(2)19-13-7-12(15)14-13/h3-6,10,13H,7-8H2,1-2H3,(H,14,15)/t10-,13-/m0/s1