ethyl 2-[2-(2-ethoxyethylamino)-2-oxidanylidene-ethyl]sulfanyl-1-(pyridin-2-ylmethyl)benzimidazole-5-carboxylate

Systemtic Name: ethyl 2-[2-(2-ethoxyethylamino)-2-oxidanylidene-ethyl]sulfanyl-1-(pyridin-2-ylmethyl)benzimidazole-5-carboxylate Openeye Name: ethyl 2-[2-(2-ethoxyethylamino)-2-oxo-ethyl]sulfanyl-1-(2-pyridylmethyl)benzimidazole-5-carboxylate CAS Name: 2-[[2-(2-ethoxyethylamino)-2-oxoethyl]thio]-1-(2-pyridinylmethyl)-5-benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-(2-ethoxyethylamino)-2-oxoethyl]sulfanyl-1-(pyridin-2-ylmethyl)benzimidazole-5-carboxylate Traditional Name: 2-[[2-(2-ethoxyethylamino)-2-keto-ethyl]thio]-1-(2-pyridylmethyl)benzimidazole-5-carboxylic acid ethyl ester Formula: C22H26N4O4S MolecularWeight: 442.53124

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCNC(=O)CSC1=NC2=C(N1CC3=CC=CC=N3)C=CC(=C2)C(=O)OCC

Isomeric SMILES

CCOCCNC(=O)CSC1=NC2=C(N1CC3=CC=CC=N3)C=CC(=C2)C(=O)OCC

InChI

InChI=1S/C22H26N4O4S/c1-3-29-12-11-24-20(27)15-31-22-25-18-13-16(21(28)30-4-2)8-9-19(18)26(22)14-17-7-5-6-10-23-17/h5-10,13H,3-4,11-12,14-15H2,1-2H3,(H,24,27)