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

Systemtic Name: (E)-2-(3,5-dimethylpyridin-1-ium-1-yl)-5-ethoxy-1-ethylsulfanyl-5-oxidanylidene-1-sulfanylidene-pent-2-en-3-olate Openeye Name: (E)-2-(3,5-dimethylpyridin-1-ium-1-yl)-5-ethoxy-1-ethylsulfanyl-5-oxo-1-thioxo-pent-2-en-3-olate CAS Name: (E)-2-(3,5-dimethyl-1-pyridin-1-iumyl)-5-ethoxy-1-(ethylthio)-5-oxo-1-sulfanylidene-2-penten-3-olate IUPAC Name: (E)-2-(3,5-dimethylpyridin-1-ium-1-yl)-5-ethoxy-1-ethylsulfanyl-5-oxo-1-sulfanylidenepent-2-en-3-olate Traditional Name: (E)-2-(3,5-dimethylpyridin-1-ium-1-yl)-5-ethoxy-1-(ethylthio)-5-keto-1-thioxo-pent-2-en-3-olate Formula: C16H21NO3S2 MolecularWeight: 339.47284

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21NO3S2/c1-5-20-14(19)8-13(18)15(16(21)22-6-2)17-9-11(3)7-12(4)10-17/h7,9-10H,5-6,8H2,1-4H3