diethyl (2S)-2-[3-oxidanylidene-5-(trifluoromethylsulfonyloxy)-1H-isoindol-2-yl]pentanedioate

Systemtic Name: diethyl (2S)-2-[3-oxidanylidene-5-(trifluoromethylsulfonyloxy)-1H-isoindol-2-yl]pentanedioate Openeye Name: diethyl (2S)-2-[1-oxo-6-(trifluoromethylsulfonyloxy)isoindolin-2-yl]pentanedioate CAS Name: (2S)-2-[3-oxo-5-(trifluoromethylsulfonyloxy)-1H-isoindol-2-yl]pentanedioic acid diethyl ester IUPAC Name: diethyl (2S)-2-[3-oxo-5-(trifluoromethylsulfonyloxy)-1H-isoindol-2-yl]pentanedioate Traditional Name: (2S)-2-(1-keto-6-triflyloxy-isoindolin-2-yl)glutaric acid diethyl ester Formula: C18H20F3NO8S MolecularWeight: 467.41351

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(C(=O)OCC)N1CC2=C(C1=O)C=C(C=C2)OS(=O)(=O)C(F)(F)F

Isomeric SMILES

CCOC(=O)CC[C@@H](C(=O)OCC)N1CC2=C(C1=O)C=C(C=C2)OS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C18H20F3NO8S/c1-3-28-15(23)8-7-14(17(25)29-4-2)22-10-11-5-6-12(9-13(11)16(22)24)30-31(26,27)18(19,20)21/h5-6,9,14H,3-4,7-8,10H2,1-2H3/t14-/m0/s1