ethyl 1-ethyl-2-[2-[2-(4-fluorophenyl)ethylamino]-2-oxidanylidene-ethyl]sulfanyl-benzimidazole-5-carboxylate

Systemtic Name: ethyl 1-ethyl-2-[2-[2-(4-fluorophenyl)ethylamino]-2-oxidanylidene-ethyl]sulfanyl-benzimidazole-5-carboxylate Openeye Name: ethyl 1-ethyl-2-[2-[2-(4-fluorophenyl)ethylamino]-2-oxo-ethyl]sulfanyl-benzimidazole-5-carboxylate CAS Name: 1-ethyl-2-[[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]thio]-5-benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-ethyl-2-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]sulfanylbenzimidazole-5-carboxylate Traditional Name: 1-ethyl-2-[[2-[2-(4-fluorophenyl)ethylamino]-2-keto-ethyl]thio]benzimidazole-5-carboxylic acid ethyl ester Formula: C22H24FN3O3S MolecularWeight: 429.507663

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24FN3O3S/c1-3-26-19-10-7-16(21(28)29-4-2)13-18(19)25-22(26)30-14-20(27)24-12-11-15-5-8-17(23)9-6-15/h5-10,13H,3-4,11-12,14H2,1-2H3,(H,24,27)