(2-sulfanylidenepyridin-1-yl) 6-(phenylcarbonylsulfanyl)hexanoate

Systemtic Name: (2-sulfanylidenepyridin-1-yl) 6-(phenylcarbonylsulfanyl)hexanoate Openeye Name: (2-thioxo-1-pyridyl) 6-benzoylsulfanylhexanoate CAS Name: 6-(benzoylthio)hexanoic acid (2-sulfanylidene-1-pyridinyl) ester IUPAC Name: (2-sulfanylidenepyridin-1-yl) 6-benzoylsulfanylhexanoate Traditional Name: 6-(benzoylthio)hexanoic acid (2-thioxo-1-pyridyl) ester Formula: C18H19NO3S2 MolecularWeight: 361.47836

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)SCCCCCC(=O)ON2C=CC=CC2=S

Isomeric SMILES

C1=CC=C(C=C1)C(=O)SCCCCCC(=O)ON2C=CC=CC2=S

InChI

InChI=1S/C18H19NO3S2/c20-17(22-19-13-7-6-11-16(19)23)12-5-2-8-14-24-18(21)15-9-3-1-4-10-15/h1,3-4,6-7,9-11,13H,2,5,8,12,14H2