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

Systemtic Name: (E)-1-(3-cyano-4-methoxy-6-methyl-pyridin-2-yl)sulfanyl-4-oxidanylidene-pent-2-en-2-olate Openeye Name: (E)-1-[(3-cyano-4-methoxy-6-methyl-2-pyridyl)sulfanyl]-4-oxo-pent-2-en-2-olate CAS Name: (E)-1-[(3-cyano-4-methoxy-6-methyl-2-pyridinyl)thio]-4-oxo-2-penten-2-olate IUPAC Name: (E)-1-(3-cyano-4-methoxy-6-methylpyridin-2-yl)sulfanyl-4-oxopent-2-en-2-olate Traditional Name: (E)-1-[(3-cyano-4-methoxy-6-methyl-2-pyridyl)thio]-4-keto-pent-2-en-2-olate Formula: C13H13N2O3S- MolecularWeight: 277.31892

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(=C1)OC)C#N)SCC(=CC(=O)C)[O-]

Isomeric SMILES

CC1=NC(=C(C(=C1)OC)C#N)SC/C(=C\C(=O)C)/[O-]

InChI

InChI=1S/C13H14N2O3S/c1-8-4-12(18-3)11(6-14)13(15-8)19-7-10(17)5-9(2)16/h4-5,17H,7H2,1-3H3/p-1/b10-5+