(2-acetamido-1,3-thiazol-4-yl)methyl 3-[5-(diethylsulfamoyl)-1-methyl-benzimidazol-2-yl]propanoate

Systemtic Name: (2-acetamido-1,3-thiazol-4-yl)methyl 3-[5-(diethylsulfamoyl)-1-methyl-benzimidazol-2-yl]propanoate Openeye Name: (2-acetamidothiazol-4-yl)methyl 3-[5-(diethylsulfamoyl)-1-methyl-benzimidazol-2-yl]propanoate CAS Name: 3-[5-(diethylsulfamoyl)-1-methyl-2-benzimidazolyl]propanoic acid (2-acetamido-4-thiazolyl)methyl ester IUPAC Name: (2-acetamido-1,3-thiazol-4-yl)methyl 3-[5-(diethylsulfamoyl)-1-methylbenzimidazol-2-yl]propanoate Traditional Name: 3-[5-(diethylsulfamoyl)-1-methyl-benzimidazol-2-yl]propionic acid (2-acetamidothiazol-4-yl)methyl ester Formula: C21H27N5O5S2 MolecularWeight: 493.59958

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)N(C(=N2)CCC(=O)OCC3=CSC(=N3)NC(=O)C)C

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)N(C(=N2)CCC(=O)OCC3=CSC(=N3)NC(=O)C)C

InChI

InChI=1S/C21H27N5O5S2/c1-5-26(6-2)33(29,30)16-7-8-18-17(11-16)24-19(25(18)4)9-10-20(28)31-12-15-13-32-21(23-15)22-14(3)27/h7-8,11,13H,5-6,9-10,12H2,1-4H3,(H,22,23,27)