ethyl 4-isocyanatosulfonyl-5-(trifluoromethyl)thiophene-3-carboxylate

Systemtic Name: ethyl 4-isocyanatosulfonyl-5-(trifluoromethyl)thiophene-3-carboxylate Openeye Name: ethyl 4-isocyanatosulfonyl-5-(trifluoromethyl)thiophene-3-carboxylate CAS Name: 4-isocyanatosulfonyl-5-(trifluoromethyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-isocyanatosulfonyl-5-(trifluoromethyl)thiophene-3-carboxylate Traditional Name: 4-isocyanatosulfonyl-5-(trifluoromethyl)thiophene-3-carboxylic acid ethyl ester Formula: C9H6F3NO5S2 MolecularWeight: 329.27285

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CSC(=C1S(=O)(=O)N=C=O)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=CSC(=C1S(=O)(=O)N=C=O)C(F)(F)F

InChI

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