methyl (1S,6R,8S,9R)-8-ethyl-9-(methoxymethyl)-4-(trifluoromethylsulfonyloxy)-7-azabicyclo[4.2.1]non-3-ene-7-carboxylate

Systemtic Name: methyl (1S,6R,8S,9R)-8-ethyl-9-(methoxymethyl)-4-(trifluoromethylsulfonyloxy)-7-azabicyclo[4.2.1]non-3-ene-7-carboxylate Openeye Name: methyl (1S,6R,8S,9R)-8-ethyl-9-(methoxymethyl)-4-(trifluoromethylsulfonyloxy)-7-azabicyclo[4.2.1]non-3-ene-7-carboxylate CAS Name: (1S,6R,8S,9R)-8-ethyl-9-(methoxymethyl)-4-(trifluoromethylsulfonyloxy)-7-azabicyclo[4.2.1]non-3-ene-7-carboxylic acid methyl ester IUPAC Name: methyl (1S,6R,8S,9R)-8-ethyl-9-(methoxymethyl)-4-(trifluoromethylsulfonyloxy)-7-azabicyclo[4.2.1]non-3-ene-7-carboxylate Traditional Name: (1S,6R,8S,9R)-8-ethyl-9-(methoxymethyl)-4-triflyloxy-7-azabicyclo[4.2.1]non-3-ene-7-carboxylic acid methyl ester Formula: C15H22F3NO6S MolecularWeight: 401.39849

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C2CC=C(CC(C2COC)N1C(=O)OC)OS(=O)(=O)C(F)(F)F

Isomeric SMILES

CC[C@H]1[C@H]2CC=C(C[C@H]([C@@H]2COC)N1C(=O)OC)OS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C15H22F3NO6S/c1-4-12-10-6-5-9(25-26(21,22)15(16,17)18)7-13(11(10)8-23-2)19(12)14(20)24-3/h5,10-13H,4,6-8H2,1-3H3/t10-,11+,12-,13+/m0/s1