methyl 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-(1-ethyl-5-sulfamoyl-benzimidazol-2-yl)sulfanyl-3-oxidanylidene-butanoate

Systemtic Name: methyl 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-(1-ethyl-5-sulfamoyl-benzimidazol-2-yl)sulfanyl-3-oxidanylidene-butanoate Openeye Name: methyl 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-(1-ethyl-5-sulfamoyl-benzimidazol-2-yl)sulfanyl-3-oxo-butanoate CAS Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-[(1-ethyl-5-sulfamoyl-2-benzimidazolyl)thio]-3-oxobutanoic acid methyl ester IUPAC Name: methyl 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-(1-ethyl-5-sulfamoylbenzimidazol-2-yl)sulfanyl-3-oxobutanoate Traditional Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-[(1-ethyl-5-sulfamoyl-benzimidazol-2-yl)thio]-3-keto-butyric acid methyl ester Formula: C21H21N5O5S2 MolecularWeight: 487.55194

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC(=O)C(=C3NC4=CC=CC=C4N3)C(=O)OC

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC(=O)C(=C3NC4=CC=CC=C4N3)C(=O)OC

InChI

InChI=1S/C21H21N5O5S2/c1-3-26-16-9-8-12(33(22,29)30)10-15(16)25-21(26)32-11-17(27)18(20(28)31-2)19-23-13-6-4-5-7-14(13)24-19/h4-10,23-24H,3,11H2,1-2H3,(H2,22,29,30)