ethyl 1-phenyl-4-(trifluoromethylsulfonyloxy)isoquinoline-3-carboxylate

Systemtic Name: ethyl 1-phenyl-4-(trifluoromethylsulfonyloxy)isoquinoline-3-carboxylate Openeye Name: ethyl 1-phenyl-4-(trifluoromethylsulfonyloxy)isoquinoline-3-carboxylate CAS Name: 1-phenyl-4-(trifluoromethylsulfonyloxy)-3-isoquinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-phenyl-4-(trifluoromethylsulfonyloxy)isoquinoline-3-carboxylate Traditional Name: 1-phenyl-4-triflyloxy-isoquinoline-3-carboxylic acid ethyl ester Formula: C19H14F3NO5S MolecularWeight: 425.37837

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2C(=N1)C3=CC=CC=C3)OS(=O)(=O)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2C(=N1)C3=CC=CC=C3)OS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C19H14F3NO5S/c1-2-27-18(24)16-17(28-29(25,26)19(20,21)22)14-11-7-6-10-13(14)15(23-16)12-8-4-3-5-9-12/h3-11H,2H2,1H3