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

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanyl)octadecanoic acid Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanyl)octadecanoic acid CAS Name: 2-(1,3-benzothiazol-2-ylthio)octadecanoic acid IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)octadecanoic acid Traditional Name: 2-(1,3-benzothiazol-2-ylthio)stearic acid Formula: C25H39NO2S2 MolecularWeight: 449.71266

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H39NO2S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-23(24(27)28)30-25-26-21-18-16-17-19-22(21)29-25/h16-19,23H,2-15,20H2,1H3,(H,27,28)