ethyl 2-[2-[3,4-bis(fluoranyl)phenyl]-2-oxidanylidene-ethyl]sulfanyl-1-ethyl-benzimidazole-5-carboxylate

Systemtic Name: ethyl 2-[2-[3,4-bis(fluoranyl)phenyl]-2-oxidanylidene-ethyl]sulfanyl-1-ethyl-benzimidazole-5-carboxylate Openeye Name: ethyl 2-[2-(3,4-difluorophenyl)-2-oxo-ethyl]sulfanyl-1-ethyl-benzimidazole-5-carboxylate CAS Name: 2-[[2-(3,4-difluorophenyl)-2-oxoethyl]thio]-1-ethyl-5-benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-(3,4-difluorophenyl)-2-oxoethyl]sulfanyl-1-ethylbenzimidazole-5-carboxylate Traditional Name: 2-[[2-(3,4-difluorophenyl)-2-keto-ethyl]thio]-1-ethyl-benzimidazole-5-carboxylic acid ethyl ester Formula: C20H18F2N2O3S MolecularWeight: 404.430326

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18F2N2O3S/c1-3-24-17-8-6-13(19(26)27-4-2)10-16(17)23-20(24)28-11-18(25)12-5-7-14(21)15(22)9-12/h5-10H,3-4,11H2,1-2H3