2-[3-cyano-6-(4-methoxyphenyl)pyridin-2-yl]sulfanylethanoate

Systemtic Name: 2-[3-cyano-6-(4-methoxyphenyl)pyridin-2-yl]sulfanylethanoate Openeye Name: 2-[[3-cyano-6-(4-methoxyphenyl)-2-pyridyl]sulfanyl]acetate CAS Name: 2-[[3-cyano-6-(4-methoxyphenyl)-2-pyridinyl]thio]acetate IUPAC Name: 2-[3-cyano-6-(4-methoxyphenyl)pyridin-2-yl]sulfanylacetate Traditional Name: 2-[[3-cyano-6-(4-methoxyphenyl)-2-pyridyl]thio]acetate Formula: C15H11N2O3S- MolecularWeight: 299.32444

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC(=C(C=C2)C#N)SCC(=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC(=C(C=C2)C#N)SCC(=O)[O-]

InChI

InChI=1S/C15H12N2O3S/c1-20-12-5-2-10(3-6-12)13-7-4-11(8-16)15(17-13)21-9-14(18)19/h2-7H,9H2,1H3,(H,18,19)/p-1