diethyl (E)-2-(1-ethoxycarbonylindol-3-yl)-3-(trifluoromethylsulfonyloxy)but-2-enedioate

Systemtic Name: diethyl (E)-2-(1-ethoxycarbonylindol-3-yl)-3-(trifluoromethylsulfonyloxy)but-2-enedioate Openeye Name: diethyl (E)-2-(1-ethoxycarbonylindol-3-yl)-3-(trifluoromethylsulfonyloxy)but-2-enedioate CAS Name: (E)-2-(1-ethoxycarbonyl-3-indolyl)-3-(trifluoromethylsulfonyloxy)-2-butenedioic acid diethyl ester IUPAC Name: diethyl (E)-2-(1-ethoxycarbonylindol-3-yl)-3-(trifluoromethylsulfonyloxy)but-2-enedioate Traditional Name: (E)-2-(1-carbethoxyindol-3-yl)-3-triflyloxy-but-2-enedioic acid diethyl ester Formula: C20H20F3NO9S MolecularWeight: 507.43431

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C(C(=O)OCC)OS(=O)(=O)C(F)(F)F)C1=CN(C2=CC=CC=C21)C(=O)OCC

Isomeric SMILES

CCOC(=O)/C(=C(\C(=O)OCC)/OS(=O)(=O)C(F)(F)F)/C1=CN(C2=CC=CC=C21)C(=O)OCC

InChI

InChI=1S/C20H20F3NO9S/c1-4-30-17(25)15(16(18(26)31-5-2)33-34(28,29)20(21,22)23)13-11-24(19(27)32-6-3)14-10-8-7-9-12(13)14/h7-11H,4-6H2,1-3H3/b16-15+