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

Systemtic Name: ethyl 5-[1-[(4-chlorophenyl)methyl]-5-fluoranyl-benzimidazol-2-yl]sulfanylpentanoate Openeye Name: ethyl 5-[1-[(4-chlorophenyl)methyl]-5-fluoro-benzimidazol-2-yl]sulfanylpentanoate CAS Name: 5-[[1-[(4-chlorophenyl)methyl]-5-fluoro-2-benzimidazolyl]thio]pentanoic acid ethyl ester IUPAC Name: ethyl 5-[1-[(4-chlorophenyl)methyl]-5-fluorobenzimidazol-2-yl]sulfanylpentanoate Traditional Name: 5-[[1-(4-chlorobenzyl)-5-fluoro-benzimidazol-2-yl]thio]valeric acid ethyl ester Formula: C21H22ClFN2O2S MolecularWeight: 420.927983

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCSC1=NC2=C(N1CC3=CC=C(C=C3)Cl)C=CC(=C2)F

Isomeric SMILES

CCOC(=O)CCCCSC1=NC2=C(N1CC3=CC=C(C=C3)Cl)C=CC(=C2)F

InChI

InChI=1S/C21H22ClFN2O2S/c1-2-27-20(26)5-3-4-12-28-21-24-18-13-17(23)10-11-19(18)25(21)14-15-6-8-16(22)9-7-15/h6-11,13H,2-5,12,14H2,1H3