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

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[[5-(diethylsulfamoyl)-2-fluoranyl-phenyl]carbonyloxymethyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[[5-(diethylsulfamoyl)-2-fluoro-benzoyl]oxymethyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[[5-(diethylsulfamoyl)-2-fluorophenyl]-oxomethoxy]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[[5-(diethylsulfamoyl)-2-fluorobenzoyl]oxymethyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[[5-(diethylsulfamoyl)-2-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=CC(=C(C=C1)F)C(=O)OCC2=C(SC(=C2C#N)N)C(=O)OCC

Isomeric SMILES

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

InChI

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