methyl 2-[3-cyano-4-phenyl-6-[(E)-2-phenylethenyl]pyridin-2-yl]sulfanylethanoate

Systemtic Name: methyl 2-[3-cyano-4-phenyl-6-[(E)-2-phenylethenyl]pyridin-2-yl]sulfanylethanoate Openeye Name: methyl 2-[[3-cyano-4-phenyl-6-[(E)-styryl]-2-pyridyl]sulfanyl]acetate CAS Name: 2-[[3-cyano-4-phenyl-6-[(E)-2-phenylethenyl]-2-pyridinyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[3-cyano-4-phenyl-6-[(E)-2-phenylethenyl]pyridin-2-yl]sulfanylacetate Traditional Name: 2-[[3-cyano-4-phenyl-6-[(E)-styryl]-2-pyridyl]thio]acetic acid methyl ester Formula: C23H18N2O2S MolecularWeight: 386.46622

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=C(C(=CC(=N1)C=CC2=CC=CC=C2)C3=CC=CC=C3)C#N

Isomeric SMILES

COC(=O)CSC1=C(C(=CC(=N1)/C=C/C2=CC=CC=C2)C3=CC=CC=C3)C#N

InChI

InChI=1S/C23H18N2O2S/c1-27-22(26)16-28-23-21(15-24)20(18-10-6-3-7-11-18)14-19(25-23)13-12-17-8-4-2-5-9-17/h2-14H,16H2,1H3/b13-12+