(phenylmethyl) (E)-2-(3-azido-2-ethynyl-4-oxidanylidene-azetidin-1-yl)-3-methylsulfonyloxy-but-2-enoate

Systemtic Name: (phenylmethyl) (E)-2-(3-azido-2-ethynyl-4-oxidanylidene-azetidin-1-yl)-3-methylsulfonyloxy-but-2-enoate Openeye Name: benzyl (E)-2-(3-azido-2-ethynyl-4-oxo-azetidin-1-yl)-3-methylsulfonyloxy-but-2-enoate CAS Name: (E)-2-(3-azido-2-ethynyl-4-oxo-1-azetidinyl)-3-methylsulfonyloxy-2-butenoic acid (phenylmethyl) ester IUPAC Name: benzyl (E)-2-(3-azido-2-ethynyl-4-oxoazetidin-1-yl)-3-methylsulfonyloxybut-2-enoate Traditional Name: (E)-2-(3-azido-2-ethynyl-4-keto-azetidin-1-yl)-3-methylsulfonyloxy-but-2-enoic acid benzyl ester Formula: C17H16N4O6S MolecularWeight: 404.39714

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C(=O)OCC1=CC=CC=C1)N2C(C(C2=O)N=[N+]=[N-])C#C)OS(=O)(=O)C

Isomeric SMILES

C/C(=C(/C(=O)OCC1=CC=CC=C1)\N2C(C(C2=O)N=[N+]=[N-])C#C)/OS(=O)(=O)C

InChI

InChI=1S/C17H16N4O6S/c1-4-13-14(19-20-18)16(22)21(13)15(11(2)27-28(3,24)25)17(23)26-10-12-8-6-5-7-9-12/h1,5-9,13-14H,10H2,2-3H3/b15-11+