(phenylmethyl) (E)-4-[3-azido-2-(methylsulfonyloxymethyl)-4-oxidanylidene-azetidin-1-yl]-3,4-bis(iodanyl)but-3-enoate

Systemtic Name: (phenylmethyl) (E)-4-[3-azido-2-(methylsulfonyloxymethyl)-4-oxidanylidene-azetidin-1-yl]-3,4-bis(iodanyl)but-3-enoate Openeye Name: benzyl (E)-4-[3-azido-2-(methylsulfonyloxymethyl)-4-oxo-azetidin-1-yl]-3,4-diiodo-but-3-enoate CAS Name: (E)-4-[3-azido-2-(methylsulfonyloxymethyl)-4-oxo-1-azetidinyl]-3,4-diiodo-3-butenoic acid (phenylmethyl) ester IUPAC Name: benzyl (E)-4-[3-azido-2-(methylsulfonyloxymethyl)-4-oxoazetidin-1-yl]-3,4-diiodobut-3-enoate Traditional Name: (E)-4-[3-azido-2-keto-4-(methylsulfonyloxymethyl)azetidin-1-yl]-3,4-diiodo-but-3-enoic acid benzyl ester Formula: C16H16I2N4O6S MolecularWeight: 646.19538

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OCC1C(C(=O)N1C(=C(CC(=O)OCC2=CC=CC=C2)I)I)N=[N+]=[N-]

Isomeric SMILES

CS(=O)(=O)OCC1C(C(=O)N1/C(=C(/CC(=O)OCC2=CC=CC=C2)\I)/I)N=[N+]=[N-]

InChI

InChI=1S/C16H16I2N4O6S/c1-29(25,26)28-9-12-14(20-21-19)16(24)22(12)15(18)11(17)7-13(23)27-8-10-5-3-2-4-6-10/h2-6,12,14H,7-9H2,1H3/b15-11-