2-(2-pyrazin-2-ylethylsulfanyl)octanoic acid

Systemtic Name: 2-(2-pyrazin-2-ylethylsulfanyl)octanoic acid Openeye Name: 2-(2-pyrazin-2-ylethylsulfanyl)octanoic acid CAS Name: 2-[2-(2-pyrazinyl)ethylthio]octanoic acid IUPAC Name: 2-(2-pyrazin-2-ylethylsulfanyl)octanoic acid Traditional Name: 2-(2-pyrazin-2-ylethylthio)caprylic acid Formula: C14H22N2O2S MolecularWeight: 282.40168

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(=O)O)SCCC1=NC=CN=C1

Isomeric SMILES

CCCCCCC(C(=O)O)SCCC1=NC=CN=C1

InChI

InChI=1S/C14H22N2O2S/c1-2-3-4-5-6-13(14(17)18)19-10-7-12-11-15-8-9-16-12/h8-9,11,13H,2-7,10H2,1H3,(H,17,18)