ethyl 3-[(E)-1-ethoxy-1-oxidanylidene-3-(trifluoromethylsulfonyloxy)but-2-en-2-yl]indole-1-carboxylate

Systemtic Name: ethyl 3-[(E)-1-ethoxy-1-oxidanylidene-3-(trifluoromethylsulfonyloxy)but-2-en-2-yl]indole-1-carboxylate Openeye Name: ethyl 3-[(E)-1-ethoxycarbonyl-2-(trifluoromethylsulfonyloxy)prop-1-enyl]indole-1-carboxylate CAS Name: 3-[(E)-1-ethoxy-1-oxo-3-(trifluoromethylsulfonyloxy)but-2-en-2-yl]-1-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[(E)-1-ethoxy-1-oxo-3-(trifluoromethylsulfonyloxy)but-2-en-2-yl]indole-1-carboxylate Traditional Name: 3-[(E)-1-carbethoxy-2-triflyloxy-prop-1-enyl]indole-1-carboxylic acid ethyl ester Formula: C18H18F3NO7S MolecularWeight: 449.39823

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18F3NO7S/c1-4-27-16(23)15(11(3)29-30(25,26)18(19,20)21)13-10-22(17(24)28-5-2)14-9-7-6-8-12(13)14/h6-10H,4-5H2,1-3H3/b15-11+