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

Systemtic Name: ethyl 2-cyclopropyl-5-methylsulfanyl-3-[[4-(2-sulfamoylphenyl)phenyl]methyl]imidazole-4-carboxylate Openeye Name: ethyl 2-cyclopropyl-5-methylsulfanyl-3-[[4-(2-sulfamoylphenyl)phenyl]methyl]imidazole-4-carboxylate CAS Name: 2-cyclopropyl-5-(methylthio)-3-[[4-(2-sulfamoylphenyl)phenyl]methyl]-4-imidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-cyclopropyl-5-methylsulfanyl-3-[[4-(2-sulfamoylphenyl)phenyl]methyl]imidazole-4-carboxylate Traditional Name: 2-cyclopropyl-5-(methylthio)-3-[4-(2-sulfamoylphenyl)benzyl]imidazole-4-carboxylic acid ethyl ester Formula: C23H25N3O4S2 MolecularWeight: 471.5923

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3S(=O)(=O)N)C4CC4)SC

Isomeric SMILES

CCOC(=O)C1=C(N=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3S(=O)(=O)N)C4CC4)SC

InChI

InChI=1S/C23H25N3O4S2/c1-3-30-23(27)20-22(31-2)25-21(17-12-13-17)26(20)14-15-8-10-16(11-9-15)18-6-4-5-7-19(18)32(24,28)29/h4-11,17H,3,12-14H2,1-2H3,(H2,24,28,29)