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

Systemtic Name: cyclohexyl 2-[4-(4-chlorophenyl)-3-cyano-6-(4-methoxyphenyl)pyridin-2-yl]sulfanylethanoate Openeye Name: cyclohexyl 2-[[4-(4-chlorophenyl)-3-cyano-6-(4-methoxyphenyl)-2-pyridyl]sulfanyl]acetate CAS Name: 2-[[4-(4-chlorophenyl)-3-cyano-6-(4-methoxyphenyl)-2-pyridinyl]thio]acetic acid cyclohexyl ester IUPAC Name: cyclohexyl 2-[4-(4-chlorophenyl)-3-cyano-6-(4-methoxyphenyl)pyridin-2-yl]sulfanylacetate Traditional Name: 2-[[4-(4-chlorophenyl)-3-cyano-6-(4-methoxyphenyl)-2-pyridyl]thio]acetic acid cyclohexyl ester Formula: C27H25ClN2O3S MolecularWeight: 493.017

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H25ClN2O3S/c1-32-21-13-9-19(10-14-21)25-15-23(18-7-11-20(28)12-8-18)24(16-29)27(30-25)34-17-26(31)33-22-5-3-2-4-6-22/h7-15,22H,2-6,17H2,1H3