2-[1-[(4-chlorophenyl)methyl]-5-fluoranyl-benzimidazol-2-yl]sulfanyl-2-methyl-propanoic acid

Systemtic Name: 2-[1-[(4-chlorophenyl)methyl]-5-fluoranyl-benzimidazol-2-yl]sulfanyl-2-methyl-propanoic acid Openeye Name: 2-[1-[(4-chlorophenyl)methyl]-5-fluoro-benzimidazol-2-yl]sulfanyl-2-methyl-propanoic acid CAS Name: 2-[[1-[(4-chlorophenyl)methyl]-5-fluoro-2-benzimidazolyl]thio]-2-methylpropanoic acid IUPAC Name: 2-[1-[(4-chlorophenyl)methyl]-5-fluorobenzimidazol-2-yl]sulfanyl-2-methylpropanoic acid Traditional Name: 2-[[1-(4-chlorobenzyl)-5-fluoro-benzimidazol-2-yl]thio]-2-methyl-propionic acid Formula: C18H16ClFN2O2S MolecularWeight: 378.848243

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)O)SC1=NC2=C(N1CC3=CC=C(C=C3)Cl)C=CC(=C2)F

Isomeric SMILES

CC(C)(C(=O)O)SC1=NC2=C(N1CC3=CC=C(C=C3)Cl)C=CC(=C2)F

InChI

InChI=1S/C18H16ClFN2O2S/c1-18(2,16(23)24)25-17-21-14-9-13(20)7-8-15(14)22(17)10-11-3-5-12(19)6-4-11/h3-9H,10H2,1-2H3,(H,23,24)