[2-[[3-(diethylsulfamoyl)-4-methyl-phenyl]amino]-2-oxidanylidene-ethyl] 3-chloranyl-6-fluoranyl-1-benzothiophene-2-carboxylate

Systemtic Name: [2-[[3-(diethylsulfamoyl)-4-methyl-phenyl]amino]-2-oxidanylidene-ethyl] 3-chloranyl-6-fluoranyl-1-benzothiophene-2-carboxylate Openeye Name: [2-[3-(diethylsulfamoyl)-4-methyl-anilino]-2-oxo-ethyl] 3-chloro-6-fluoro-benzothiophene-2-carboxylate CAS Name: 3-chloro-6-fluoro-1-benzothiophene-2-carboxylic acid [2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl] ester IUPAC Name: [2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 3-chloro-6-fluoro-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-fluoro-benzothiophene-2-carboxylic acid [2-[3-(diethylsulfamoyl)-4-methyl-anilino]-2-keto-ethyl] ester Formula: C22H22ClFN2O5S2 MolecularWeight: 513.001883

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)NC(=O)COC(=O)C2=C(C3=C(S2)C=C(C=C3)F)Cl)C

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)NC(=O)COC(=O)C2=C(C3=C(S2)C=C(C=C3)F)Cl)C

InChI

InChI=1S/C22H22ClFN2O5S2/c1-4-26(5-2)33(29,30)18-11-15(8-6-13(18)3)25-19(27)12-31-22(28)21-20(23)16-9-7-14(24)10-17(16)32-21/h6-11H,4-5,12H2,1-3H3,(H,25,27)