methyl 3-isocyanatosulfonyl-4-(trifluoromethyloxy)thiophene-2-carboxylate

Systemtic Name: methyl 3-isocyanatosulfonyl-4-(trifluoromethyloxy)thiophene-2-carboxylate Openeye Name: methyl 3-isocyanatosulfonyl-4-(trifluoromethoxy)thiophene-2-carboxylate CAS Name: 3-isocyanatosulfonyl-4-(trifluoromethoxy)-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-isocyanatosulfonyl-4-(trifluoromethoxy)thiophene-2-carboxylate Traditional Name: 3-isocyanatosulfonyl-4-(trifluoromethoxy)thiophene-2-carboxylic acid methyl ester Formula: C8H4F3NO6S2 MolecularWeight: 331.24567

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C(=CS1)OC(F)(F)F)S(=O)(=O)N=C=O

Isomeric SMILES

COC(=O)C1=C(C(=CS1)OC(F)(F)F)S(=O)(=O)N=C=O

InChI

InChI=1S/C8H4F3NO6S2/c1-17-7(14)5-6(20(15,16)12-3-13)4(2-19-5)18-8(9,10)11/h2H,1H3