[2-[2-cyanoethyl-(4-fluorophenyl)amino]-2-oxidanylidene-ethyl] 3-(cyclopropylsulfamoyl)thiophene-2-carboxylate

Systemtic Name: [2-[2-cyanoethyl-(4-fluorophenyl)amino]-2-oxidanylidene-ethyl] 3-(cyclopropylsulfamoyl)thiophene-2-carboxylate Openeye Name: [2-[N-(2-cyanoethyl)-4-fluoro-anilino]-2-oxo-ethyl] 3-(cyclopropylsulfamoyl)thiophene-2-carboxylate CAS Name: 3-(cyclopropylsulfamoyl)-2-thiophenecarboxylic acid [2-[N-(2-cyanoethyl)-4-fluoroanilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)-4-fluoroanilino]-2-oxoethyl] 3-(cyclopropylsulfamoyl)thiophene-2-carboxylate Traditional Name: 3-(cyclopropylsulfamoyl)thiophene-2-carboxylic acid [2-[N-(2-cyanoethyl)-4-fluoro-anilino]-2-keto-ethyl] ester Formula: C19H18FN3O5S2 MolecularWeight: 451.491723

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NS(=O)(=O)C2=C(SC=C2)C(=O)OCC(=O)N(CCC#N)C3=CC=C(C=C3)F

Isomeric SMILES

C1CC1NS(=O)(=O)C2=C(SC=C2)C(=O)OCC(=O)N(CCC#N)C3=CC=C(C=C3)F

InChI

InChI=1S/C19H18FN3O5S2/c20-13-2-6-15(7-3-13)23(10-1-9-21)17(24)12-28-19(25)18-16(8-11-29-18)30(26,27)22-14-4-5-14/h2-3,6-8,11,14,22H,1,4-5,10,12H2