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

Systemtic Name: 2-[2-[(5-ethanoyl-2-methoxy-phenyl)methylsulfanyl]-5-(trifluoromethyl)benzimidazol-1-yl]ethanoic acid Openeye Name: 2-[2-[(5-acetyl-2-methoxy-phenyl)methylsulfanyl]-5-(trifluoromethyl)benzimidazol-1-yl]acetic acid CAS Name: 2-[2-[(5-acetyl-2-methoxyphenyl)methylthio]-5-(trifluoromethyl)-1-benzimidazolyl]acetic acid IUPAC Name: 2-[2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-5-(trifluoromethyl)benzimidazol-1-yl]acetic acid Traditional Name: 2-[2-[(5-acetyl-2-methoxy-benzyl)thio]-5-(trifluoromethyl)benzimidazol-1-yl]acetic acid Formula: C20H17F3N2O4S MolecularWeight: 438.42019

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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)C(F)(F)F

Isomeric SMILES

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

InChI

InChI=1S/C20H17F3N2O4S/c1-11(26)12-3-6-17(29-2)13(7-12)10-30-19-24-15-8-14(20(21,22)23)4-5-16(15)25(19)9-18(27)28/h3-8H,9-10H2,1-2H3,(H,27,28)