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

Systemtic Name: cyclohexyl 2-[3-cyano-4-(3,4-dimethoxyphenyl)-6-(4-methylphenyl)pyridin-2-yl]sulfanylethanoate Openeye Name: cyclohexyl 2-[[3-cyano-4-(3,4-dimethoxyphenyl)-6-(p-tolyl)-2-pyridyl]sulfanyl]acetate CAS Name: 2-[[3-cyano-4-(3,4-dimethoxyphenyl)-6-(4-methylphenyl)-2-pyridinyl]thio]acetic acid cyclohexyl ester IUPAC Name: cyclohexyl 2-[3-cyano-4-(3,4-dimethoxyphenyl)-6-(4-methylphenyl)pyridin-2-yl]sulfanylacetate Traditional Name: 2-[[3-cyano-4-(3,4-dimethoxyphenyl)-6-(p-tolyl)-2-pyridyl]thio]acetic acid cyclohexyl ester Formula: C29H30N2O4S MolecularWeight: 502.6245

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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)OC)C#N)SCC(=O)OC4CCCCC4

Isomeric SMILES

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

InChI

InChI=1S/C29H30N2O4S/c1-19-9-11-20(12-10-19)25-16-23(21-13-14-26(33-2)27(15-21)34-3)24(17-30)29(31-25)36-18-28(32)35-22-7-5-4-6-8-22/h9-16,22H,4-8,18H2,1-3H3