(E)-5-ethoxy-1-methylsulfanyl-5-oxidanylidene-2-pyridin-1-ium-1-yl-1-sulfanylidene-pent-2-en-3-olate

Systemtic Name: (E)-5-ethoxy-1-methylsulfanyl-5-oxidanylidene-2-pyridin-1-ium-1-yl-1-sulfanylidene-pent-2-en-3-olate Openeye Name: (E)-5-ethoxy-1-methylsulfanyl-5-oxo-2-pyridin-1-ium-1-yl-1-thioxo-pent-2-en-3-olate CAS Name: (E)-5-ethoxy-1-(methylthio)-5-oxo-2-(1-pyridin-1-iumyl)-1-sulfanylidene-2-penten-3-olate IUPAC Name: (E)-5-ethoxy-1-methylsulfanyl-5-oxo-2-pyridin-1-ium-1-yl-1-sulfanylidenepent-2-en-3-olate Traditional Name: (E)-5-ethoxy-5-keto-1-(methylthio)-2-pyridin-1-ium-1-yl-1-thioxo-pent-2-en-3-olate Formula: C13H15NO3S2 MolecularWeight: 297.3931

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(=C(C(=S)SC)[N+]1=CC=CC=C1)[O-]

Isomeric SMILES

CCOC(=O)C/C(=C(/C(=S)SC)\[N+]1=CC=CC=C1)/[O-]

InChI

InChI=1S/C13H15NO3S2/c1-3-17-11(16)9-10(15)12(13(18)19-2)14-7-5-4-6-8-14/h4-8H,3,9H2,1-2H3