(E)-1-(3-cyano-4-ethoxy-6-pyridin-3-yl-pyridin-2-yl)sulfanyl-4-oxidanylidene-pent-2-en-2-olate

Systemtic Name: (E)-1-(3-cyano-4-ethoxy-6-pyridin-3-yl-pyridin-2-yl)sulfanyl-4-oxidanylidene-pent-2-en-2-olate Openeye Name: (E)-1-[[3-cyano-4-ethoxy-6-(3-pyridyl)-2-pyridyl]sulfanyl]-4-oxo-pent-2-en-2-olate CAS Name: (E)-1-[[3-cyano-4-ethoxy-6-(3-pyridinyl)-2-pyridinyl]thio]-4-oxo-2-penten-2-olate IUPAC Name: (E)-1-(3-cyano-4-ethoxy-6-pyridin-3-ylpyridin-2-yl)sulfanyl-4-oxopent-2-en-2-olate Traditional Name: (E)-1-[[3-cyano-4-ethoxy-6-(3-pyridyl)-2-pyridyl]thio]-4-keto-pent-2-en-2-olate Formula: C18H16N3O3S- MolecularWeight: 354.40294

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=NC(=C1C#N)SCC(=CC(=O)C)[O-])C2=CN=CC=C2

Isomeric SMILES

CCOC1=CC(=NC(=C1C#N)SC/C(=C\C(=O)C)/[O-])C2=CN=CC=C2

InChI

InChI=1S/C18H17N3O3S/c1-3-24-17-8-16(13-5-4-6-20-10-13)21-18(15(17)9-19)25-11-14(23)7-12(2)22/h4-8,10,23H,3,11H2,1-2H3/p-1/b14-7+