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

Systemtic Name: 2-[2-(5-ethoxy-5-oxidanylidene-pentyl)sulfanyl-5-fluoranyl-benzimidazol-1-yl]ethanoic acid Openeye Name: 2-[2-(5-ethoxy-5-oxo-pentyl)sulfanyl-5-fluoro-benzimidazol-1-yl]acetic acid CAS Name: 2-[2-[(5-ethoxy-5-oxopentyl)thio]-5-fluoro-1-benzimidazolyl]acetic acid IUPAC Name: 2-[2-(5-ethoxy-5-oxopentyl)sulfanyl-5-fluorobenzimidazol-1-yl]acetic acid Traditional Name: 2-[2-[(5-ethoxy-5-keto-pentyl)thio]-5-fluoro-benzimidazol-1-yl]acetic acid Formula: C16H19FN2O4S MolecularWeight: 354.396463

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19FN2O4S/c1-2-23-15(22)5-3-4-8-24-16-18-12-9-11(17)6-7-13(12)19(16)10-14(20)21/h6-7,9H,2-5,8,10H2,1H3,(H,20,21)