(E)-5-ethoxy-2-(4-methylpyridin-1-ium-1-yl)-1-methylsulfanyl-5-oxidanylidene-1-sulfanylidene-pent-2-en-3-olate

Systemtic Name: (E)-5-ethoxy-2-(4-methylpyridin-1-ium-1-yl)-1-methylsulfanyl-5-oxidanylidene-1-sulfanylidene-pent-2-en-3-olate Openeye Name: (E)-5-ethoxy-2-(4-methylpyridin-1-ium-1-yl)-1-methylsulfanyl-5-oxo-1-thioxo-pent-2-en-3-olate CAS Name: (E)-5-ethoxy-2-(4-methyl-1-pyridin-1-iumyl)-1-(methylthio)-5-oxo-1-sulfanylidene-2-penten-3-olate IUPAC Name: (E)-5-ethoxy-2-(4-methylpyridin-1-ium-1-yl)-1-methylsulfanyl-5-oxo-1-sulfanylidenepent-2-en-3-olate Traditional Name: (E)-5-ethoxy-5-keto-2-(4-methylpyridin-1-ium-1-yl)-1-(methylthio)-1-thioxo-pent-2-en-3-olate Formula: C14H17NO3S2 MolecularWeight: 311.41968

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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