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

Systemtic Name: cyclohexyl 2-[3-cyano-4-(2-methoxyphenyl)-6-(4-methylphenyl)pyridin-2-yl]sulfanylethanoate Openeye Name: cyclohexyl 2-[[3-cyano-4-(2-methoxyphenyl)-6-(p-tolyl)-2-pyridyl]sulfanyl]acetate CAS Name: 2-[[3-cyano-4-(2-methoxyphenyl)-6-(4-methylphenyl)-2-pyridinyl]thio]acetic acid cyclohexyl ester IUPAC Name: cyclohexyl 2-[3-cyano-4-(2-methoxyphenyl)-6-(4-methylphenyl)pyridin-2-yl]sulfanylacetate Traditional Name: 2-[[3-cyano-4-(2-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=CC=C3OC)C#N)SCC(=O)OC4CCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=C(C(=C2)C3=CC=CC=C3OC)C#N)SCC(=O)OC4CCCCC4

InChI

InChI=1S/C28H28N2O3S/c1-19-12-14-20(15-13-19)25-16-23(22-10-6-7-11-26(22)32-2)24(17-29)28(30-25)34-18-27(31)33-21-8-4-3-5-9-21/h6-7,10-16,21H,3-5,8-9,18H2,1-2H3