2-(1,3-benzothiazol-2-ylsulfanyl)octanoic acid

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanyl)octanoic acid Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanyl)octanoic acid CAS Name: 2-(1,3-benzothiazol-2-ylthio)octanoic acid IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)octanoic acid Traditional Name: 2-(1,3-benzothiazol-2-ylthio)caprylic acid Formula: C15H19NO2S2 MolecularWeight: 309.44686

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(=O)O)SC1=NC2=CC=CC=C2S1

Isomeric SMILES

CCCCCCC(C(=O)O)SC1=NC2=CC=CC=C2S1

InChI

InChI=1S/C15H19NO2S2/c1-2-3-4-5-10-13(14(17)18)20-15-16-11-8-6-7-9-12(11)19-15/h6-9,13H,2-5,10H2,1H3,(H,17,18)