O2-tert-butyl O3-ethyl (3S)-7-(trifluoromethylsulfonyloxy)-3,4-dihydro-1H-isoquinoline-2,3-dicarboxylate

Systemtic Name: O2-tert-butyl O3-ethyl (3S)-7-(trifluoromethylsulfonyloxy)-3,4-dihydro-1H-isoquinoline-2,3-dicarboxylate Openeye Name: O2-tert-butyl O3-ethyl (3S)-7-(trifluoromethylsulfonyloxy)-3,4-dihydro-1H-isoquinoline-2,3-dicarboxylate CAS Name: (3S)-7-(trifluoromethylsulfonyloxy)-3,4-dihydro-1H-isoquinoline-2,3-dicarboxylic acid O2-tert-butyl ester O3-ethyl ester IUPAC Name: 2-O-tert-butyl 3-O-ethyl (3S)-7-(trifluoromethylsulfonyloxy)-3,4-dihydro-1H-isoquinoline-2,3-dicarboxylate Traditional Name: (3S)-7-triflyloxy-3,4-dihydro-1H-isoquinoline-2,3-dicarboxylic acid O2-tert-butyl ester O3-ethyl ester Formula: C18H22F3NO7S MolecularWeight: 453.42999

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC2=C(CN1C(=O)OC(C)(C)C)C=C(C=C2)OS(=O)(=O)C(F)(F)F

Isomeric SMILES

CCOC(=O)[C@@H]1CC2=C(CN1C(=O)OC(C)(C)C)C=C(C=C2)OS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C18H22F3NO7S/c1-5-27-15(23)14-9-11-6-7-13(29-30(25,26)18(19,20)21)8-12(11)10-22(14)16(24)28-17(2,3)4/h6-8,14H,5,9-10H2,1-4H3/t14-/m0/s1