(phenylmethyl) 2-[3-cyano-4-(furan-2-yl)-6-phenyl-pyridin-2-yl]sulfanylethanoate

Systemtic Name: (phenylmethyl) 2-[3-cyano-4-(furan-2-yl)-6-phenyl-pyridin-2-yl]sulfanylethanoate Openeye Name: benzyl 2-[[3-cyano-4-(2-furyl)-6-phenyl-2-pyridyl]sulfanyl]acetate CAS Name: 2-[[3-cyano-4-(2-furanyl)-6-phenyl-2-pyridinyl]thio]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[3-cyano-4-(furan-2-yl)-6-phenylpyridin-2-yl]sulfanylacetate Traditional Name: 2-[[3-cyano-4-(2-furyl)-6-phenyl-2-pyridyl]thio]acetic acid benzyl ester Formula: C25H18N2O3S MolecularWeight: 426.48702

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)CSC2=C(C(=CC(=N2)C3=CC=CC=C3)C4=CC=CO4)C#N

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)CSC2=C(C(=CC(=N2)C3=CC=CC=C3)C4=CC=CO4)C#N

InChI

InChI=1S/C25H18N2O3S/c26-15-21-20(23-12-7-13-29-23)14-22(19-10-5-2-6-11-19)27-25(21)31-17-24(28)30-16-18-8-3-1-4-9-18/h1-14H,16-17H2