ethyl 1-ethyl-2-[2-oxidanylidene-2-(phenethylamino)ethyl]sulfanyl-benzimidazole-5-carboxylate

Systemtic Name: ethyl 1-ethyl-2-[2-oxidanylidene-2-(phenethylamino)ethyl]sulfanyl-benzimidazole-5-carboxylate Openeye Name: ethyl 1-ethyl-2-[2-oxo-2-(phenethylamino)ethyl]sulfanyl-benzimidazole-5-carboxylate CAS Name: 1-ethyl-2-[[2-oxo-2-(phenethylamino)ethyl]thio]-5-benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-ethyl-2-[2-oxo-2-(phenethylamino)ethyl]sulfanylbenzimidazole-5-carboxylate Traditional Name: 1-ethyl-2-[[2-keto-2-(phenethylamino)ethyl]thio]benzimidazole-5-carboxylic acid ethyl ester Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OCC)N=C1SCC(=O)NCCC3=CC=CC=C3

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OCC)N=C1SCC(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C22H25N3O3S/c1-3-25-19-11-10-17(21(27)28-4-2)14-18(19)24-22(25)29-15-20(26)23-13-12-16-8-6-5-7-9-16/h5-11,14H,3-4,12-13,15H2,1-2H3,(H,23,26)