ethyl 1-(3-ethoxypropyl)-2-[2-oxidanylidene-2-(pyridin-2-ylmethylamino)ethyl]sulfanyl-benzimidazole-5-carboxylate

Systemtic Name: ethyl 1-(3-ethoxypropyl)-2-[2-oxidanylidene-2-(pyridin-2-ylmethylamino)ethyl]sulfanyl-benzimidazole-5-carboxylate Openeye Name: ethyl 1-(3-ethoxypropyl)-2-[2-oxo-2-(2-pyridylmethylamino)ethyl]sulfanyl-benzimidazole-5-carboxylate CAS Name: 1-(3-ethoxypropyl)-2-[[2-oxo-2-(2-pyridinylmethylamino)ethyl]thio]-5-benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(3-ethoxypropyl)-2-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]sulfanylbenzimidazole-5-carboxylate Traditional Name: 1-(3-ethoxypropyl)-2-[[2-keto-2-(2-pyridylmethylamino)ethyl]thio]benzimidazole-5-carboxylic acid ethyl ester Formula: C23H28N4O4S MolecularWeight: 456.55782

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCN1C2=C(C=C(C=C2)C(=O)OCC)N=C1SCC(=O)NCC3=CC=CC=N3

Isomeric SMILES

CCOCCCN1C2=C(C=C(C=C2)C(=O)OCC)N=C1SCC(=O)NCC3=CC=CC=N3

InChI

InChI=1S/C23H28N4O4S/c1-3-30-13-7-12-27-20-10-9-17(22(29)31-4-2)14-19(20)26-23(27)32-16-21(28)25-15-18-8-5-6-11-24-18/h5-6,8-11,14H,3-4,7,12-13,15-16H2,1-2H3,(H,25,28)