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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCCC1=NC2=C(N1CC3=CC=C(C=C3)Cl)C=CC(=C2)F)S

Isomeric SMILES

CCOC(=O)C(CCCC1=NC2=C(N1CC3=CC=C(C=C3)Cl)C=CC(=C2)F)S

InChI

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