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

Systemtic Name: ethyl 3-isocyanatosulfonyl-4-(trifluoromethyl)thiophene-2-carboxylate Openeye Name: ethyl 3-isocyanatosulfonyl-4-(trifluoromethyl)thiophene-2-carboxylate CAS Name: 3-isocyanatosulfonyl-4-(trifluoromethyl)-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 3-isocyanatosulfonyl-4-(trifluoromethyl)thiophene-2-carboxylate Traditional Name: 3-isocyanatosulfonyl-4-(trifluoromethyl)thiophene-2-carboxylic acid ethyl ester Formula: C9H6F3NO5S2 MolecularWeight: 329.27285

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H6F3NO5S2/c1-2-18-8(15)6-7(20(16,17)13-4-14)5(3-19-6)9(10,11)12/h3H,2H2,1H3