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

Systemtic Name: ethyl 1-(3-ethoxypropyl)-2-[2-oxidanylidene-2-(oxolan-2-ylmethylamino)ethyl]sulfanyl-benzimidazole-5-carboxylate Openeye Name: ethyl 1-(3-ethoxypropyl)-2-[2-oxo-2-(tetrahydrofuran-2-ylmethylamino)ethyl]sulfanyl-benzimidazole-5-carboxylate CAS Name: 1-(3-ethoxypropyl)-2-[[2-oxo-2-(2-oxolanylmethylamino)ethyl]thio]-5-benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(3-ethoxypropyl)-2-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]sulfanylbenzimidazole-5-carboxylate Traditional Name: 1-(3-ethoxypropyl)-2-[[2-keto-2-(tetrahydrofurfurylamino)ethyl]thio]benzimidazole-5-carboxylic acid ethyl ester Formula: C22H31N3O5S MolecularWeight: 449.56364

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCN1C2=C(C=C(C=C2)C(=O)OCC)N=C1SCC(=O)NCC3CCCO3

Isomeric SMILES

CCOCCCN1C2=C(C=C(C=C2)C(=O)OCC)N=C1SCC(=O)NCC3CCCO3

InChI

InChI=1S/C22H31N3O5S/c1-3-28-11-6-10-25-19-9-8-16(21(27)29-4-2)13-18(19)24-22(25)31-15-20(26)23-14-17-7-5-12-30-17/h8-9,13,17H,3-7,10-12,14-15H2,1-2H3,(H,23,26)