8-(1,3-benzothiazol-2-ylsulfanyl)octanoic acid

Systemtic Name: 8-(1,3-benzothiazol-2-ylsulfanyl)octanoic acid Openeye Name: 8-(1,3-benzothiazol-2-ylsulfanyl)octanoic acid CAS Name: 8-(1,3-benzothiazol-2-ylthio)octanoic acid IUPAC Name: 8-(1,3-benzothiazol-2-ylsulfanyl)octanoic acid Traditional Name: 8-(1,3-benzothiazol-2-ylthio)caprylic acid Formula: C15H19NO2S2 MolecularWeight: 309.44686

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)SCCCCCCCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SCCCCCCCC(=O)O

InChI

InChI=1S/C15H19NO2S2/c17-14(18)10-4-2-1-3-7-11-19-15-16-12-8-5-6-9-13(12)20-15/h5-6,8-9H,1-4,7,10-11H2,(H,17,18)