cyclohexyl 2-[3-cyano-6-(4-methoxyphenyl)-4-phenyl-pyridin-2-yl]sulfanylethanoate

Systemtic Name: cyclohexyl 2-[3-cyano-6-(4-methoxyphenyl)-4-phenyl-pyridin-2-yl]sulfanylethanoate Openeye Name: cyclohexyl 2-[[3-cyano-6-(4-methoxyphenyl)-4-phenyl-2-pyridyl]sulfanyl]acetate CAS Name: 2-[[3-cyano-6-(4-methoxyphenyl)-4-phenyl-2-pyridinyl]thio]acetic acid cyclohexyl ester IUPAC Name: cyclohexyl 2-[3-cyano-6-(4-methoxyphenyl)-4-phenylpyridin-2-yl]sulfanylacetate Traditional Name: 2-[[3-cyano-6-(4-methoxyphenyl)-4-phenyl-2-pyridyl]thio]acetic acid cyclohexyl ester Formula: C27H26N2O3S MolecularWeight: 458.57194

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC(=C(C(=C2)C3=CC=CC=C3)C#N)SCC(=O)OC4CCCCC4

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC(=C(C(=C2)C3=CC=CC=C3)C#N)SCC(=O)OC4CCCCC4

InChI

InChI=1S/C27H26N2O3S/c1-31-21-14-12-20(13-15-21)25-16-23(19-8-4-2-5-9-19)24(17-28)27(29-25)33-18-26(30)32-22-10-6-3-7-11-22/h2,4-5,8-9,12-16,22H,3,6-7,10-11,18H2,1H3