6-(1,3-benzothiazol-2-ylsulfanyl)hexanoic acid

Systemtic Name: 6-(1,3-benzothiazol-2-ylsulfanyl)hexanoic acid Openeye Name: 6-(1,3-benzothiazol-2-ylsulfanyl)hexanoic acid CAS Name: 6-(1,3-benzothiazol-2-ylthio)hexanoic acid IUPAC Name: 6-(1,3-benzothiazol-2-ylsulfanyl)hexanoic acid Traditional Name: 6-(1,3-benzothiazol-2-ylthio)hexanoic acid Formula: C13H15NO2S2 MolecularWeight: 281.3937

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15NO2S2/c15-12(16)8-2-1-5-9-17-13-14-10-6-3-4-7-11(10)18-13/h3-4,6-7H,1-2,5,8-9H2,(H,15,16)