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

Systemtic Name: ethyl 2-butyl-5-methylsulfanyl-3-[[4-[2-(propoxycarbonylsulfamoyl)phenyl]phenyl]methyl]imidazole-4-carboxylate Openeye Name: ethyl 2-butyl-5-methylsulfanyl-3-[[4-[2-(propoxycarbonylsulfamoyl)phenyl]phenyl]methyl]imidazole-4-carboxylate CAS Name: 2-butyl-5-(methylthio)-3-[[4-[2-[[oxo(propoxy)methyl]sulfamoyl]phenyl]phenyl]methyl]-4-imidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-butyl-5-methylsulfanyl-3-[[4-[2-(propoxycarbonylsulfamoyl)phenyl]phenyl]methyl]imidazole-4-carboxylate Traditional Name: 2-butyl-5-(methylthio)-3-[4-[2-(propoxycarbonylsulfamoyl)phenyl]benzyl]imidazole-4-carboxylic acid ethyl ester Formula: C28H35N3O6S2 MolecularWeight: 573.724

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3S(=O)(=O)NC(=O)OCCC)C(=O)OCC)SC

Isomeric SMILES

CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3S(=O)(=O)NC(=O)OCCC)C(=O)OCC)SC

InChI

InChI=1S/C28H35N3O6S2/c1-5-8-13-24-29-26(38-4)25(27(32)36-7-3)31(24)19-20-14-16-21(17-15-20)22-11-9-10-12-23(22)39(34,35)30-28(33)37-18-6-2/h9-12,14-17H,5-8,13,18-19H2,1-4H3,(H,30,33)