[3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxidanylidene-propyl] 4-(2,1,3-benzothiadiazol-4-ylsulfonylamino)butanoate

Systemtic Name: [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxidanylidene-propyl] 4-(2,1,3-benzothiadiazol-4-ylsulfonylamino)butanoate Openeye Name: [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxo-propyl] 4-(2,1,3-benzothiadiazol-4-ylsulfonylamino)butanoate CAS Name: 4-(2,1,3-benzothiadiazol-4-ylsulfonylamino)butanoic acid [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxopropyl] ester IUPAC Name: [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxopropyl] 4-(2,1,3-benzothiadiazol-4-ylsulfonylamino)butanoate Traditional Name: 4-(piazthiol-4-ylsulfonylamino)butyric acid [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-keto-propyl] ester Formula: C21H18N6O5S2 MolecularWeight: 498.53482

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=C(C#N)C(=O)COC(=O)CCCNS(=O)(=O)C3=CC=CC4=NSN=C43)N2

Isomeric SMILES

C1=CC=C2C(=C1)NC(=C(C#N)C(=O)COC(=O)CCCNS(=O)(=O)C3=CC=CC4=NSN=C43)N2

InChI

InChI=1S/C21H18N6O5S2/c22-11-13(21-24-14-5-1-2-6-15(14)25-21)17(28)12-32-19(29)9-4-10-23-34(30,31)18-8-3-7-16-20(18)27-33-26-16/h1-3,5-8,23-25H,4,9-10,12H2