ethyl 2-[2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1-ethyl-benzimidazole-5-carboxylate

Systemtic Name: ethyl 2-[2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1-ethyl-benzimidazole-5-carboxylate Openeye Name: ethyl 2-[2-[(1-cyanocyclohexyl)amino]-2-oxo-ethyl]sulfanyl-1-ethyl-benzimidazole-5-carboxylate CAS Name: 2-[[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl]thio]-1-ethyl-5-benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl]sulfanyl-1-ethylbenzimidazole-5-carboxylate Traditional Name: 2-[[2-[(1-cyanocyclohexyl)amino]-2-keto-ethyl]thio]-1-ethyl-benzimidazole-5-carboxylic acid ethyl ester Formula: C21H26N4O3S MolecularWeight: 414.52114

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OCC)N=C1SCC(=O)NC3(CCCCC3)C#N

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OCC)N=C1SCC(=O)NC3(CCCCC3)C#N

InChI

InChI=1S/C21H26N4O3S/c1-3-25-17-9-8-15(19(27)28-4-2)12-16(17)23-20(25)29-13-18(26)24-21(14-22)10-6-5-7-11-21/h8-9,12H,3-7,10-11,13H2,1-2H3,(H,24,26)