ethyl 2-[2-methyl-5-methylsulfanyl-3-[[4-(2-sulfamoylphenyl)phenyl]methyl]imidazol-4-yl]-2-oxidanyl-propanoate

Systemtic Name: ethyl 2-[2-methyl-5-methylsulfanyl-3-[[4-(2-sulfamoylphenyl)phenyl]methyl]imidazol-4-yl]-2-oxidanyl-propanoate Openeye Name: ethyl 2-hydroxy-2-[2-methyl-5-methylsulfanyl-3-[[4-(2-sulfamoylphenyl)phenyl]methyl]imidazol-4-yl]propanoate CAS Name: 2-hydroxy-2-[2-methyl-5-(methylthio)-3-[[4-(2-sulfamoylphenyl)phenyl]methyl]-4-imidazolyl]propanoic acid ethyl ester IUPAC Name: ethyl 2-hydroxy-2-[2-methyl-5-methylsulfanyl-3-[[4-(2-sulfamoylphenyl)phenyl]methyl]imidazol-4-yl]propanoate Traditional Name: 2-hydroxy-2-[2-methyl-5-(methylthio)-3-[4-(2-sulfamoylphenyl)benzyl]imidazol-4-yl]propionic acid ethyl ester Formula: C23H27N3O5S2 MolecularWeight: 489.60758

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N3O5S2/c1-5-31-22(27)23(3,28)20-21(32-4)25-15(2)26(20)14-16-10-12-17(13-11-16)18-8-6-7-9-19(18)33(24,29)30/h6-13,28H,5,14H2,1-4H3,(H2,24,29,30)