2-[1-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-3-ethyl-octanoic acid

Systemtic Name: 2-[1-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-3-ethyl-octanoic acid Openeye Name: 2-[1-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-3-ethyl-octanoic acid CAS Name: 2-[1-(1,3-benzothiazol-2-ylthio)ethyl]-3-ethyloctanoic acid IUPAC Name: 2-[1-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-3-ethyloctanoic acid Traditional Name: 2-[1-(1,3-benzothiazol-2-ylthio)ethyl]-3-ethyl-caprylic acid Formula: C19H27NO2S2 MolecularWeight: 365.55318

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27NO2S2/c1-4-6-7-10-14(5-2)17(18(21)22)13(3)23-19-20-15-11-8-9-12-16(15)24-19/h8-9,11-14,17H,4-7,10H2,1-3H3,(H,21,22)