tert-butyl 4-methyl-6-morpholin-4-yl-2-[5-oxidanylidene-3-(trifluoromethylsulfonyloxy)-1,2-dihydropyrrol-4-yl]benzimidazole-1-carboxylate

Systemtic Name: tert-butyl 4-methyl-6-morpholin-4-yl-2-[5-oxidanylidene-3-(trifluoromethylsulfonyloxy)-1,2-dihydropyrrol-4-yl]benzimidazole-1-carboxylate Openeye Name: tert-butyl 4-methyl-6-morpholino-2-[5-oxo-3-(trifluoromethylsulfonyloxy)-1,2-dihydropyrrol-4-yl]benzimidazole-1-carboxylate CAS Name: 4-methyl-6-(4-morpholinyl)-2-[5-oxo-3-(trifluoromethylsulfonyloxy)-1,2-dihydropyrrol-4-yl]-1-benzimidazolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-methyl-6-morpholin-4-yl-2-[5-oxo-3-(trifluoromethylsulfonyloxy)-1,2-dihydropyrrol-4-yl]benzimidazole-1-carboxylate Traditional Name: 2-(2-keto-4-triflyloxy-3-pyrrolin-3-yl)-4-methyl-6-morpholino-benzimidazole-1-carboxylic acid tert-butyl ester Formula: C22H25F3N4O7S MolecularWeight: 546.51671

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC2=C1N=C(N2C(=O)OC(C)(C)C)C3=C(CNC3=O)OS(=O)(=O)C(F)(F)F)N4CCOCC4

Isomeric SMILES

CC1=CC(=CC2=C1N=C(N2C(=O)OC(C)(C)C)C3=C(CNC3=O)OS(=O)(=O)C(F)(F)F)N4CCOCC4

InChI

InChI=1S/C22H25F3N4O7S/c1-12-9-13(28-5-7-34-8-6-28)10-14-17(12)27-18(29(14)20(31)35-21(2,3)4)16-15(11-26-19(16)30)36-37(32,33)22(23,24)25/h9-10H,5-8,11H2,1-4H3,(H,26,30)