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

Systemtic Name: ethyl 2-[2-oxidanylidene-2-(oxolan-2-ylmethylamino)ethyl]sulfanyl-1-(pyridin-2-ylmethyl)benzimidazole-5-carboxylate Openeye Name: ethyl 2-[2-oxo-2-(tetrahydrofuran-2-ylmethylamino)ethyl]sulfanyl-1-(2-pyridylmethyl)benzimidazole-5-carboxylate CAS Name: 2-[[2-oxo-2-(2-oxolanylmethylamino)ethyl]thio]-1-(2-pyridinylmethyl)-5-benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]sulfanyl-1-(pyridin-2-ylmethyl)benzimidazole-5-carboxylate Traditional Name: 2-[[2-keto-2-(tetrahydrofurfurylamino)ethyl]thio]-1-(2-pyridylmethyl)benzimidazole-5-carboxylic acid ethyl ester Formula: C23H26N4O4S MolecularWeight: 454.54194

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N(C(=N2)SCC(=O)NCC3CCCO3)CC4=CC=CC=N4

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N(C(=N2)SCC(=O)NCC3CCCO3)CC4=CC=CC=N4

InChI

InChI=1S/C23H26N4O4S/c1-2-30-22(29)16-8-9-20-19(12-16)26-23(27(20)14-17-6-3-4-10-24-17)32-15-21(28)25-13-18-7-5-11-31-18/h3-4,6,8-10,12,18H,2,5,7,11,13-15H2,1H3,(H,25,28)