ethyl 2-[3-cyano-4-(furan-2-yl)-5,6-dimethyl-pyridin-2-yl]sulfanylethanoate

Systemtic Name: ethyl 2-[3-cyano-4-(furan-2-yl)-5,6-dimethyl-pyridin-2-yl]sulfanylethanoate Openeye Name: ethyl 2-[[3-cyano-4-(2-furyl)-5,6-dimethyl-2-pyridyl]sulfanyl]acetate CAS Name: 2-[[3-cyano-4-(2-furanyl)-5,6-dimethyl-2-pyridinyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[3-cyano-4-(furan-2-yl)-5,6-dimethylpyridin-2-yl]sulfanylacetate Traditional Name: 2-[[3-cyano-4-(2-furyl)-5,6-dimethyl-2-pyridyl]thio]acetic acid ethyl ester Formula: C16H16N2O3S MolecularWeight: 316.37484

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC(=C(C(=C1C#N)C2=CC=CO2)C)C

Isomeric SMILES

CCOC(=O)CSC1=NC(=C(C(=C1C#N)C2=CC=CO2)C)C

InChI

InChI=1S/C16H16N2O3S/c1-4-20-14(19)9-22-16-12(8-17)15(10(2)11(3)18-16)13-6-5-7-21-13/h5-7H,4,9H2,1-3H3