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

Systemtic Name: ethyl 2-[2-(1-benzofuran-2-yl)-2-oxidanylidene-ethyl]sulfanyl-1-ethyl-benzimidazole-5-carboxylate Openeye Name: ethyl 2-[2-(benzofuran-2-yl)-2-oxo-ethyl]sulfanyl-1-ethyl-benzimidazole-5-carboxylate CAS Name: 2-[[2-(2-benzofuranyl)-2-oxoethyl]thio]-1-ethyl-5-benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-(1-benzofuran-2-yl)-2-oxoethyl]sulfanyl-1-ethylbenzimidazole-5-carboxylate Traditional Name: 2-[[2-(benzofuran-2-yl)-2-keto-ethyl]thio]-1-ethyl-benzimidazole-5-carboxylic acid ethyl ester Formula: C22H20N2O4S MolecularWeight: 408.4702

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OCC)N=C1SCC(=O)C3=CC4=CC=CC=C4O3

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OCC)N=C1SCC(=O)C3=CC4=CC=CC=C4O3

InChI

InChI=1S/C22H20N2O4S/c1-3-24-17-10-9-15(21(26)27-4-2)11-16(17)23-22(24)29-13-18(25)20-12-14-7-5-6-8-19(14)28-20/h5-12H,3-4,13H2,1-2H3