4-[5-fluoranyl-1-[(4-methylsulfanylphenyl)methyl]benzimidazol-2-yl]-3,3-dimethyl-butanoic acid

Systemtic Name: 4-[5-fluoranyl-1-[(4-methylsulfanylphenyl)methyl]benzimidazol-2-yl]-3,3-dimethyl-butanoic acid Openeye Name: 4-[5-fluoro-1-[(4-methylsulfanylphenyl)methyl]benzimidazol-2-yl]-3,3-dimethyl-butanoic acid CAS Name: 4-[5-fluoro-1-[[4-(methylthio)phenyl]methyl]-2-benzimidazolyl]-3,3-dimethylbutanoic acid IUPAC Name: 4-[5-fluoro-1-[(4-methylsulfanylphenyl)methyl]benzimidazol-2-yl]-3,3-dimethylbutanoic acid Traditional Name: 4-[5-fluoro-1-[4-(methylthio)benzyl]benzimidazol-2-yl]-3,3-dimethyl-butyric acid Formula: C21H23FN2O2S MolecularWeight: 386.482923

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC1=NC2=C(N1CC3=CC=C(C=C3)SC)C=CC(=C2)F)CC(=O)O

Isomeric SMILES

CC(C)(CC1=NC2=C(N1CC3=CC=C(C=C3)SC)C=CC(=C2)F)CC(=O)O

InChI

InChI=1S/C21H23FN2O2S/c1-21(2,12-20(25)26)11-19-23-17-10-15(22)6-9-18(17)24(19)13-14-4-7-16(27-3)8-5-14/h4-10H,11-13H2,1-3H3,(H,25,26)