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

Systemtic Name: methyl 3-isocyanatosulfonyl-4-(trifluoromethyl)thiophene-2-carboxylate Openeye Name: methyl 3-isocyanatosulfonyl-4-(trifluoromethyl)thiophene-2-carboxylate CAS Name: 3-isocyanatosulfonyl-4-(trifluoromethyl)-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-isocyanatosulfonyl-4-(trifluoromethyl)thiophene-2-carboxylate Traditional Name: 3-isocyanatosulfonyl-4-(trifluoromethyl)thiophene-2-carboxylic acid methyl ester Formula: C8H4F3NO5S2 MolecularWeight: 315.24627

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H4F3NO5S2/c1-17-7(14)5-6(19(15,16)12-3-13)4(2-18-5)8(9,10)11/h2H,1H3