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

Systemtic Name: cyclohexyl 2-[3-cyano-4-(4-methoxyphenyl)-6-(4-methylphenyl)pyridin-2-yl]sulfanylethanoate Openeye Name: cyclohexyl 2-[[3-cyano-4-(4-methoxyphenyl)-6-(p-tolyl)-2-pyridyl]sulfanyl]acetate CAS Name: 2-[[3-cyano-4-(4-methoxyphenyl)-6-(4-methylphenyl)-2-pyridinyl]thio]acetic acid cyclohexyl ester IUPAC Name: cyclohexyl 2-[3-cyano-4-(4-methoxyphenyl)-6-(4-methylphenyl)pyridin-2-yl]sulfanylacetate Traditional Name: 2-[[3-cyano-4-(4-methoxyphenyl)-6-(p-tolyl)-2-pyridyl]thio]acetic acid cyclohexyl ester Formula: C28H28N2O3S MolecularWeight: 472.59852

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=C(C(=C2)C3=CC=C(C=C3)OC)C#N)SCC(=O)OC4CCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=C(C(=C2)C3=CC=C(C=C3)OC)C#N)SCC(=O)OC4CCCCC4

InChI

InChI=1S/C28H28N2O3S/c1-19-8-10-21(11-9-19)26-16-24(20-12-14-22(32-2)15-13-20)25(17-29)28(30-26)34-18-27(31)33-23-6-4-3-5-7-23/h8-16,23H,3-7,18H2,1-2H3