ethyl 4-[1-[(4-chlorophenyl)methyl]-5-fluoranyl-benzimidazol-2-yl]-2-sulfanyl-butanoate

Systemtic Name: ethyl 4-[1-[(4-chlorophenyl)methyl]-5-fluoranyl-benzimidazol-2-yl]-2-sulfanyl-butanoate Openeye Name: ethyl 4-[1-[(4-chlorophenyl)methyl]-5-fluoro-benzimidazol-2-yl]-2-sulfanyl-butanoate CAS Name: 4-[1-[(4-chlorophenyl)methyl]-5-fluoro-2-benzimidazolyl]-2-mercaptobutanoic acid ethyl ester IUPAC Name: ethyl 4-[1-[(4-chlorophenyl)methyl]-5-fluorobenzimidazol-2-yl]-2-sulfanylbutanoate Traditional Name: 4-[1-(4-chlorobenzyl)-5-fluoro-benzimidazol-2-yl]-2-mercapto-butyric acid ethyl ester Formula: C20H20ClFN2O2S MolecularWeight: 406.901403

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC1=NC2=C(N1CC3=CC=C(C=C3)Cl)C=CC(=C2)F)S

Isomeric SMILES

CCOC(=O)C(CCC1=NC2=C(N1CC3=CC=C(C=C3)Cl)C=CC(=C2)F)S

InChI

InChI=1S/C20H20ClFN2O2S/c1-2-26-20(25)18(27)9-10-19-23-16-11-15(22)7-8-17(16)24(19)12-13-3-5-14(21)6-4-13/h3-8,11,18,27H,2,9-10,12H2,1H3