[2-(4-methylsulfanylphenyl)-2-oxidanylidene-ethyl] 3-[5-(dimethylsulfamoyl)-1-methyl-benzimidazol-2-yl]propanoate

Systemtic Name: [2-(4-methylsulfanylphenyl)-2-oxidanylidene-ethyl] 3-[5-(dimethylsulfamoyl)-1-methyl-benzimidazol-2-yl]propanoate Openeye Name: [2-(4-methylsulfanylphenyl)-2-oxo-ethyl] 3-[5-(dimethylsulfamoyl)-1-methyl-benzimidazol-2-yl]propanoate CAS Name: 3-[5-(dimethylsulfamoyl)-1-methyl-2-benzimidazolyl]propanoic acid [2-[4-(methylthio)phenyl]-2-oxoethyl] ester IUPAC Name: [2-(4-methylsulfanylphenyl)-2-oxoethyl] 3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]propanoate Traditional Name: 3-[5-(dimethylsulfamoyl)-1-methyl-benzimidazol-2-yl]propionic acid [2-keto-2-[4-(methylthio)phenyl]ethyl] ester Formula: C22H25N3O5S2 MolecularWeight: 475.581

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)S(=O)(=O)N(C)C)N=C1CCC(=O)OCC(=O)C3=CC=C(C=C3)SC

Isomeric SMILES

CN1C2=C(C=C(C=C2)S(=O)(=O)N(C)C)N=C1CCC(=O)OCC(=O)C3=CC=C(C=C3)SC

InChI

InChI=1S/C22H25N3O5S2/c1-24(2)32(28,29)17-9-10-19-18(13-17)23-21(25(19)3)11-12-22(27)30-14-20(26)15-5-7-16(31-4)8-6-15/h5-10,13H,11-12,14H2,1-4H3