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

Systemtic Name: (E)-5-ethoxy-1-ethylsulfanyl-5-oxidanylidene-2-pyridin-1-ium-1-yl-1-sulfanylidene-pent-2-en-3-olate Openeye Name: (E)-5-ethoxy-1-ethylsulfanyl-5-oxo-2-pyridin-1-ium-1-yl-1-thioxo-pent-2-en-3-olate CAS Name: (E)-5-ethoxy-1-(ethylthio)-5-oxo-2-(1-pyridin-1-iumyl)-1-sulfanylidene-2-penten-3-olate IUPAC Name: (E)-5-ethoxy-1-ethylsulfanyl-5-oxo-2-pyridin-1-ium-1-yl-1-sulfanylidenepent-2-en-3-olate Traditional Name: (E)-5-ethoxy-1-(ethylthio)-5-keto-2-pyridin-1-ium-1-yl-1-thioxo-pent-2-en-3-olate Formula: C14H17NO3S2 MolecularWeight: 311.41968

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17NO3S2/c1-3-18-12(17)10-11(16)13(14(19)20-4-2)15-8-6-5-7-9-15/h5-9H,3-4,10H2,1-2H3