5-[[4,5-bis(fluoranyl)-1,3-benzothiazol-2-yl]sulfanyl]pentanoic acid

Systemtic Name: 5-[[4,5-bis(fluoranyl)-1,3-benzothiazol-2-yl]sulfanyl]pentanoic acid Openeye Name: 5-[(4,5-difluoro-1,3-benzothiazol-2-yl)sulfanyl]pentanoic acid CAS Name: 5-[(4,5-difluoro-1,3-benzothiazol-2-yl)thio]pentanoic acid IUPAC Name: 5-[(4,5-difluoro-1,3-benzothiazol-2-yl)sulfanyl]pentanoic acid Traditional Name: 5-[(4,5-difluoro-1,3-benzothiazol-2-yl)thio]valeric acid Formula: C12H11F2NO2S2 MolecularWeight: 303.348046

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1F)F)N=C(S2)SCCCCC(=O)O

Isomeric SMILES

C1=CC2=C(C(=C1F)F)N=C(S2)SCCCCC(=O)O

InChI

InChI=1S/C12H11F2NO2S2/c13-7-4-5-8-11(10(7)14)15-12(19-8)18-6-2-1-3-9(16)17/h4-5H,1-3,6H2,(H,16,17)