ethyl 1-[(3-fluorophenyl)methyl]-2-[2-oxidanylidene-2-(oxolan-2-ylmethylamino)ethyl]sulfanyl-benzimidazole-5-carboxylate

Systemtic Name: ethyl 1-[(3-fluorophenyl)methyl]-2-[2-oxidanylidene-2-(oxolan-2-ylmethylamino)ethyl]sulfanyl-benzimidazole-5-carboxylate Openeye Name: ethyl 1-[(3-fluorophenyl)methyl]-2-[2-oxo-2-(tetrahydrofuran-2-ylmethylamino)ethyl]sulfanyl-benzimidazole-5-carboxylate CAS Name: 1-[(3-fluorophenyl)methyl]-2-[[2-oxo-2-(2-oxolanylmethylamino)ethyl]thio]-5-benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(3-fluorophenyl)methyl]-2-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]sulfanylbenzimidazole-5-carboxylate Traditional Name: 1-(3-fluorobenzyl)-2-[[2-keto-2-(tetrahydrofurfurylamino)ethyl]thio]benzimidazole-5-carboxylic acid ethyl ester Formula: C24H26FN3O4S MolecularWeight: 471.544343

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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=C4)F

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N(C(=N2)SCC(=O)NCC3CCCO3)CC4=CC(=CC=C4)F

InChI

InChI=1S/C24H26FN3O4S/c1-2-31-23(30)17-8-9-21-20(12-17)27-24(28(21)14-16-5-3-6-18(25)11-16)33-15-22(29)26-13-19-7-4-10-32-19/h3,5-6,8-9,11-12,19H,2,4,7,10,13-15H2,1H3,(H,26,29)