ethyl 3-[[4-[2-(ethoxycarbonylsulfamoyl)phenyl]phenyl]methyl]-2-ethyl-5-methylsulfanyl-imidazole-4-carboxylate

Systemtic Name: ethyl 3-[[4-[2-(ethoxycarbonylsulfamoyl)phenyl]phenyl]methyl]-2-ethyl-5-methylsulfanyl-imidazole-4-carboxylate Openeye Name: ethyl 3-[[4-[2-(ethoxycarbonylsulfamoyl)phenyl]phenyl]methyl]-2-ethyl-5-methylsulfanyl-imidazole-4-carboxylate CAS Name: 3-[[4-[2-(ethoxycarbonylsulfamoyl)phenyl]phenyl]methyl]-2-ethyl-5-(methylthio)-4-imidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[[4-[2-(ethoxycarbonylsulfamoyl)phenyl]phenyl]methyl]-2-ethyl-5-methylsulfanylimidazole-4-carboxylate Traditional Name: 3-[4-[2-(carbethoxysulfamoyl)phenyl]benzyl]-2-ethyl-5-(methylthio)imidazole-4-carboxylic acid ethyl ester Formula: C25H29N3O6S2 MolecularWeight: 531.64426

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3S(=O)(=O)NC(=O)OCC)C(=O)OCC)SC

Isomeric SMILES

CCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3S(=O)(=O)NC(=O)OCC)C(=O)OCC)SC

InChI

InChI=1S/C25H29N3O6S2/c1-5-21-26-23(35-4)22(24(29)33-6-2)28(21)16-17-12-14-18(15-13-17)19-10-8-9-11-20(19)36(31,32)27-25(30)34-7-3/h8-15H,5-7,16H2,1-4H3,(H,27,30)