ethyl 4-[2-[7-methoxy-2,2-dimethyl-4-(trifluoromethylsulfonyloxy)thiochromen-6-yl]ethynyl]benzoate

Systemtic Name: ethyl 4-[2-[7-methoxy-2,2-dimethyl-4-(trifluoromethylsulfonyloxy)thiochromen-6-yl]ethynyl]benzoate Openeye Name: ethyl 4-[2-[7-methoxy-2,2-dimethyl-4-(trifluoromethylsulfonyloxy)thiochromen-6-yl]ethynyl]benzoate CAS Name: 4-[2-[7-methoxy-2,2-dimethyl-4-(trifluoromethylsulfonyloxy)-1-benzothiopyran-6-yl]ethynyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-[7-methoxy-2,2-dimethyl-4-(trifluoromethylsulfonyloxy)thiochromen-6-yl]ethynyl]benzoate Traditional Name: 4-[2-(7-methoxy-2,2-dimethyl-4-triflyloxy-thiochromen-6-yl)ethynyl]benzoic acid ethyl ester Formula: C24H21F3O6S2 MolecularWeight: 526.54515

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)C#CC2=CC3=C(C=C2OC)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=C2OC)SC(C=C3OS(=O)(=O)C(F)(F)F)(C)C

InChI

InChI=1S/C24H21F3O6S2/c1-5-32-22(28)16-9-6-15(7-10-16)8-11-17-12-18-20(33-35(29,30)24(25,26)27)14-23(2,3)34-21(18)13-19(17)31-4/h6-7,9-10,12-14H,5H2,1-4H3