8-(methylsulfanylcarbothioylamino)octanoic acid

Systemtic Name: 8-(methylsulfanylcarbothioylamino)octanoic acid Openeye Name: 8-(methylsulfanylcarbothioylamino)octanoic acid CAS Name: 8-[[(methylthio)-sulfanylidenemethyl]amino]octanoic acid IUPAC Name: 8-(methylsulfanylcarbothioylamino)octanoic acid Traditional Name: 8-[(methylthio)carbothioylamino]caprylic acid Formula: C10H19NO2S2 MolecularWeight: 249.39336

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=S)NCCCCCCCC(=O)O

Isomeric SMILES

CSC(=S)NCCCCCCCC(=O)O

InChI

InChI=1S/C10H19NO2S2/c1-15-10(14)11-8-6-4-2-3-5-7-9(12)13/h2-8H2,1H3,(H,11,14)(H,12,13)