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

Systemtic Name: ethyl 2-[6-(4-chlorophenyl)-3-cyano-pyridin-2-yl]sulfanylethanoate Openeye Name: ethyl 2-[[6-(4-chlorophenyl)-3-cyano-2-pyridyl]sulfanyl]acetate CAS Name: 2-[[6-(4-chlorophenyl)-3-cyano-2-pyridinyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[6-(4-chlorophenyl)-3-cyanopyridin-2-yl]sulfanylacetate Traditional Name: 2-[[6-(4-chlorophenyl)-3-cyano-2-pyridyl]thio]acetic acid ethyl ester Formula: C16H13ClN2O2S MolecularWeight: 332.80462

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13ClN2O2S/c1-2-21-15(20)10-22-16-12(9-18)5-8-14(19-16)11-3-6-13(17)7-4-11/h3-8H,2,10H2,1H3