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

Systemtic Name: ethyl 2-[2-(2-ethoxyethylamino)-2-oxidanylidene-ethyl]sulfanyl-1-(3-ethoxypropyl)benzimidazole-5-carboxylate Openeye Name: ethyl 2-[2-(2-ethoxyethylamino)-2-oxo-ethyl]sulfanyl-1-(3-ethoxypropyl)benzimidazole-5-carboxylate CAS Name: 2-[[2-(2-ethoxyethylamino)-2-oxoethyl]thio]-1-(3-ethoxypropyl)-5-benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-(2-ethoxyethylamino)-2-oxoethyl]sulfanyl-1-(3-ethoxypropyl)benzimidazole-5-carboxylate Traditional Name: 2-[[2-(2-ethoxyethylamino)-2-keto-ethyl]thio]-1-(3-ethoxypropyl)benzimidazole-5-carboxylic acid ethyl ester Formula: C21H31N3O5S MolecularWeight: 437.55294

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H31N3O5S/c1-4-27-12-7-11-24-18-9-8-16(20(26)29-6-3)14-17(18)23-21(24)30-15-19(25)22-10-13-28-5-2/h8-9,14H,4-7,10-13,15H2,1-3H3,(H,22,25)