ethyl 5-azanyl-4-cyano-3-[[3-(diethylsulfamoyl)-4-fluoranyl-phenyl]carbonyloxymethyl]thiophene-2-carboxylate

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[[3-(diethylsulfamoyl)-4-fluoranyl-phenyl]carbonyloxymethyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[[3-(diethylsulfamoyl)-4-fluoro-benzoyl]oxymethyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[[3-(diethylsulfamoyl)-4-fluorophenyl]-oxomethoxy]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[[3-(diethylsulfamoyl)-4-fluorobenzoyl]oxymethyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[[3-(diethylsulfamoyl)-4-fluoro-benzoyl]oxymethyl]thiophene-2-carboxylic acid ethyl ester Formula: C20H22FN3O6S2 MolecularWeight: 483.533583

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)C(=O)OCC2=C(SC(=C2C#N)N)C(=O)OCC)F

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)C(=O)OCC2=C(SC(=C2C#N)N)C(=O)OCC)F

InChI

InChI=1S/C20H22FN3O6S2/c1-4-24(5-2)32(27,28)16-9-12(7-8-15(16)21)19(25)30-11-14-13(10-22)18(23)31-17(14)20(26)29-6-3/h7-9H,4-6,11,23H2,1-3H3