sodium 4-[[3-cyano-4-(furan-3-yl)-6-thiophen-2-yl-pyridin-2-yl]oxymethyl]benzoate

Systemtic Name: sodium 4-[[3-cyano-4-(furan-3-yl)-6-thiophen-2-yl-pyridin-2-yl]oxymethyl]benzoate Openeye Name: sodium 4-[[3-cyano-4-(3-furyl)-6-(2-thienyl)-2-pyridyl]oxymethyl]benzoate CAS Name: sodium 4-[[3-cyano-4-(3-furanyl)-6-thiophen-2-yl-2-pyridinyl]oxymethyl]benzoate IUPAC Name: sodium 4-[[3-cyano-4-(furan-3-yl)-6-thiophen-2-ylpyridin-2-yl]oxymethyl]benzoate Traditional Name: sodium 4-[[3-cyano-4-(3-furyl)-6-(2-thienyl)-2-pyridyl]oxymethyl]benzoate Formula: C22H13N2NaO4S MolecularWeight: 424.40439

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C2=NC(=C(C(=C2)C3=COC=C3)C#N)OCC4=CC=C(C=C4)C(=O)[O-].[Na+]

Isomeric SMILES

C1=CSC(=C1)C2=NC(=C(C(=C2)C3=COC=C3)C#N)OCC4=CC=C(C=C4)C(=O)[O-].[Na+]

InChI

InChI=1S/C22H14N2O4S.Na/c23-11-18-17(16-7-8-27-13-16)10-19(20-2-1-9-29-20)24-21(18)28-12-14-3-5-15(6-4-14)22(25)26;/h1-10,13H,12H2,(H,25,26);/q;+1/p-1