2-[2-[(5-ethanoyl-2-methoxy-phenyl)methylsulfanyl]-5-fluoranyl-benzimidazol-1-yl]ethanoic acid

Systemtic Name: 2-[2-[(5-ethanoyl-2-methoxy-phenyl)methylsulfanyl]-5-fluoranyl-benzimidazol-1-yl]ethanoic acid Openeye Name: 2-[2-[(5-acetyl-2-methoxy-phenyl)methylsulfanyl]-5-fluoro-benzimidazol-1-yl]acetic acid CAS Name: 2-[2-[(5-acetyl-2-methoxyphenyl)methylthio]-5-fluoro-1-benzimidazolyl]acetic acid IUPAC Name: 2-[2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-5-fluorobenzimidazol-1-yl]acetic acid Traditional Name: 2-[2-[(5-acetyl-2-methoxy-benzyl)thio]-5-fluoro-benzimidazol-1-yl]acetic acid Formula: C19H17FN2O4S MolecularWeight: 388.412683

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OC)CSC2=NC3=C(N2CC(=O)O)C=CC(=C3)F

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OC)CSC2=NC3=C(N2CC(=O)O)C=CC(=C3)F

InChI

InChI=1S/C19H17FN2O4S/c1-11(23)12-3-6-17(26-2)13(7-12)10-27-19-21-15-8-14(20)4-5-16(15)22(19)9-18(24)25/h3-8H,9-10H2,1-2H3,(H,24,25)