ethyl 2-[3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxidanylidene-propyl]sulfanyl-1-ethyl-benzimidazole-5-carboxylate

Systemtic Name: ethyl 2-[3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxidanylidene-propyl]sulfanyl-1-ethyl-benzimidazole-5-carboxylate Openeye Name: ethyl 2-[3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxo-propyl]sulfanyl-1-ethyl-benzimidazole-5-carboxylate CAS Name: 2-[[3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxopropyl]thio]-1-ethyl-5-benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxopropyl]sulfanyl-1-ethylbenzimidazole-5-carboxylate Traditional Name: 2-[[3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-keto-propyl]thio]-1-ethyl-benzimidazole-5-carboxylic acid ethyl ester Formula: C23H21N5O3S MolecularWeight: 447.50954

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OCC)N=C1SCC(=O)C(=C3NC4=CC=CC=C4N3)C#N

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OCC)N=C1SCC(=O)C(=C3NC4=CC=CC=C4N3)C#N

InChI

InChI=1S/C23H21N5O3S/c1-3-28-19-10-9-14(22(30)31-4-2)11-18(19)27-23(28)32-13-20(29)15(12-24)21-25-16-7-5-6-8-17(16)26-21/h5-11,25-26H,3-4,13H2,1-2H3