(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl 3-[5-(dimethylsulfamoyl)-1-methyl-benzimidazol-2-yl]propanoate

Systemtic Name: (3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl 3-[5-(dimethylsulfamoyl)-1-methyl-benzimidazol-2-yl]propanoate Openeye Name: [3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl 3-[5-(dimethylsulfamoyl)-1-methyl-benzimidazol-2-yl]propanoate CAS Name: 3-[5-(dimethylsulfamoyl)-1-methyl-2-benzimidazolyl]propanoic acid (3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl ester IUPAC Name: (3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl 3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]propanoate Traditional Name: 3-[5-(dimethylsulfamoyl)-1-methyl-benzimidazol-2-yl]propionic acid [3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C20H21N5O5S2 MolecularWeight: 475.54124

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)S(=O)(=O)N(C)C)N=C1CCC(=O)OCC3=NC(=NO3)C4=CC=CS4

Isomeric SMILES

CN1C2=C(C=C(C=C2)S(=O)(=O)N(C)C)N=C1CCC(=O)OCC3=NC(=NO3)C4=CC=CS4

InChI

InChI=1S/C20H21N5O5S2/c1-24(2)32(27,28)13-6-7-15-14(11-13)21-17(25(15)3)8-9-19(26)29-12-18-22-20(23-30-18)16-5-4-10-31-16/h4-7,10-11H,8-9,12H2,1-3H3