ethyl 2-[3-cyano-4-(furan-2-yl)-6-(4-methylphenyl)pyridin-2-yl]sulfanylethanoate

Systemtic Name: ethyl 2-[3-cyano-4-(furan-2-yl)-6-(4-methylphenyl)pyridin-2-yl]sulfanylethanoate Openeye Name: ethyl 2-[[3-cyano-4-(2-furyl)-6-(p-tolyl)-2-pyridyl]sulfanyl]acetate CAS Name: 2-[[3-cyano-4-(2-furanyl)-6-(4-methylphenyl)-2-pyridinyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[3-cyano-4-(furan-2-yl)-6-(4-methylphenyl)pyridin-2-yl]sulfanylacetate Traditional Name: 2-[[3-cyano-4-(2-furyl)-6-(p-tolyl)-2-pyridyl]thio]acetic acid ethyl ester Formula: C21H18N2O3S MolecularWeight: 378.44422

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=C(C(=CC(=N1)C2=CC=C(C=C2)C)C3=CC=CO3)C#N

Isomeric SMILES

CCOC(=O)CSC1=C(C(=CC(=N1)C2=CC=C(C=C2)C)C3=CC=CO3)C#N

InChI

InChI=1S/C21H18N2O3S/c1-3-25-20(24)13-27-21-17(12-22)16(19-5-4-10-26-19)11-18(23-21)15-8-6-14(2)7-9-15/h4-11H,3,13H2,1-2H3