2-[2-(5-ethoxy-5-oxidanylidene-pentyl)sulfanyl-5-(trifluoromethyl)benzimidazol-1-yl]ethanoic acid

Systemtic Name: 2-[2-(5-ethoxy-5-oxidanylidene-pentyl)sulfanyl-5-(trifluoromethyl)benzimidazol-1-yl]ethanoic acid Openeye Name: 2-[2-(5-ethoxy-5-oxo-pentyl)sulfanyl-5-(trifluoromethyl)benzimidazol-1-yl]acetic acid CAS Name: 2-[2-[(5-ethoxy-5-oxopentyl)thio]-5-(trifluoromethyl)-1-benzimidazolyl]acetic acid IUPAC Name: 2-[2-(5-ethoxy-5-oxopentyl)sulfanyl-5-(trifluoromethyl)benzimidazol-1-yl]acetic acid Traditional Name: 2-[2-[(5-ethoxy-5-keto-pentyl)thio]-5-(trifluoromethyl)benzimidazol-1-yl]acetic acid Formula: C17H19F3N2O4S MolecularWeight: 404.40397

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCSC1=NC2=C(N1CC(=O)O)C=CC(=C2)C(F)(F)F

Isomeric SMILES

CCOC(=O)CCCCSC1=NC2=C(N1CC(=O)O)C=CC(=C2)C(F)(F)F

InChI

InChI=1S/C17H19F3N2O4S/c1-2-26-15(25)5-3-4-8-27-16-21-12-9-11(17(18,19)20)6-7-13(12)22(16)10-14(23)24/h6-7,9H,2-5,8,10H2,1H3,(H,23,24)