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

Systemtic Name: (4-methylsulfanylphenyl) 3-[5-(dimethylsulfamoyl)-1-ethyl-benzimidazol-2-yl]propanoate Openeye Name: (4-methylsulfanylphenyl) 3-[5-(dimethylsulfamoyl)-1-ethyl-benzimidazol-2-yl]propanoate CAS Name: 3-[5-(dimethylsulfamoyl)-1-ethyl-2-benzimidazolyl]propanoic acid [4-(methylthio)phenyl] ester IUPAC Name: (4-methylsulfanylphenyl) 3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanoate Traditional Name: 3-[5-(dimethylsulfamoyl)-1-ethyl-benzimidazol-2-yl]propionic acid [4-(methylthio)phenyl] ester Formula: C21H25N3O4S2 MolecularWeight: 447.5709

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N(C)C)N=C1CCC(=O)OC3=CC=C(C=C3)SC

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N(C)C)N=C1CCC(=O)OC3=CC=C(C=C3)SC

InChI

InChI=1S/C21H25N3O4S2/c1-5-24-19-11-10-17(30(26,27)23(2)3)14-18(19)22-20(24)12-13-21(25)28-15-6-8-16(29-4)9-7-15/h6-11,14H,5,12-13H2,1-4H3