ethyl 4-[2-[2,2-dimethyl-4-(trifluoromethylsulfonyloxy)thiochromen-6-yl]ethynyl]benzoate

Systemtic Name: ethyl 4-[2-[2,2-dimethyl-4-(trifluoromethylsulfonyloxy)thiochromen-6-yl]ethynyl]benzoate Openeye Name: ethyl 4-[2-[2,2-dimethyl-4-(trifluoromethylsulfonyloxy)thiochromen-6-yl]ethynyl]benzoate CAS Name: 4-[2-[2,2-dimethyl-4-(trifluoromethylsulfonyloxy)-1-benzothiopyran-6-yl]ethynyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-[2,2-dimethyl-4-(trifluoromethylsulfonyloxy)thiochromen-6-yl]ethynyl]benzoate Traditional Name: 4-[2-(2,2-dimethyl-4-triflyloxy-thiochromen-6-yl)ethynyl]benzoic acid ethyl ester Formula: C23H19F3O5S2 MolecularWeight: 496.51917

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)C#CC2=CC3=C(C=C2)SC(C=C3OS(=O)(=O)C(F)(F)F)(C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)C#CC2=CC3=C(C=C2)SC(C=C3OS(=O)(=O)C(F)(F)F)(C)C

InChI

InChI=1S/C23H19F3O5S2/c1-4-30-21(27)17-10-7-15(8-11-17)5-6-16-9-12-20-18(13-16)19(14-22(2,3)32-20)31-33(28,29)23(24,25)26/h7-14H,4H2,1-3H3