2-[2-[(1-butanoylpiperidin-3-yl)methylsulfanyl]-5-fluoranyl-benzimidazol-1-yl]ethanoic acid

Systemtic Name: 2-[2-[(1-butanoylpiperidin-3-yl)methylsulfanyl]-5-fluoranyl-benzimidazol-1-yl]ethanoic acid Openeye Name: 2-[2-[(1-butanoyl-3-piperidyl)methylsulfanyl]-5-fluoro-benzimidazol-1-yl]acetic acid CAS Name: 2-[5-fluoro-2-[[1-(1-oxobutyl)-3-piperidinyl]methylthio]-1-benzimidazolyl]acetic acid IUPAC Name: 2-[2-[(1-butanoylpiperidin-3-yl)methylsulfanyl]-5-fluorobenzimidazol-1-yl]acetic acid Traditional Name: 2-[2-[(1-butyryl-3-piperidyl)methylthio]-5-fluoro-benzimidazol-1-yl]acetic acid Formula: C19H24FN3O3S MolecularWeight: 393.475563

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N1CCCC(C1)CSC2=NC3=C(N2CC(=O)O)C=CC(=C3)F

Isomeric SMILES

CCCC(=O)N1CCCC(C1)CSC2=NC3=C(N2CC(=O)O)C=CC(=C3)F

InChI

InChI=1S/C19H24FN3O3S/c1-2-4-17(24)22-8-3-5-13(10-22)12-27-19-21-15-9-14(20)6-7-16(15)23(19)11-18(25)26/h6-7,9,13H,2-5,8,10-12H2,1H3,(H,25,26)