ethyl 2-(6-benzo[e][1]benzofuran-2-yl-3-cyano-pyridin-2-yl)sulfanylethanoate

Systemtic Name: ethyl 2-(6-benzo[e][1]benzofuran-2-yl-3-cyano-pyridin-2-yl)sulfanylethanoate Openeye Name: ethyl 2-[(6-benzo[e]benzofuran-2-yl-3-cyano-2-pyridyl)sulfanyl]acetate CAS Name: 2-[[6-(2-benzo[e]benzofuranyl)-3-cyano-2-pyridinyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-(6-benzo[e][1]benzofuran-2-yl-3-cyanopyridin-2-yl)sulfanylacetate Traditional Name: 2-[(6-benzo[e]benzofuran-2-yl-3-cyano-2-pyridyl)thio]acetic acid ethyl ester Formula: C22H16N2O3S MolecularWeight: 388.43904

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=C(C=CC(=N1)C2=CC3=C(O2)C=CC4=CC=CC=C43)C#N

Isomeric SMILES

CCOC(=O)CSC1=C(C=CC(=N1)C2=CC3=C(O2)C=CC4=CC=CC=C43)C#N

InChI

InChI=1S/C22H16N2O3S/c1-2-26-21(25)13-28-22-15(12-23)7-9-18(24-22)20-11-17-16-6-4-3-5-14(16)8-10-19(17)27-20/h3-11H,2,13H2,1H3