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

Systemtic Name: propan-2-yl 2-[3-cyano-6-(4-methylphenyl)pyridin-2-yl]sulfanylethanoate Openeye Name: isopropyl 2-[[3-cyano-6-(p-tolyl)-2-pyridyl]sulfanyl]acetate CAS Name: 2-[[3-cyano-6-(4-methylphenyl)-2-pyridinyl]thio]acetic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[3-cyano-6-(4-methylphenyl)pyridin-2-yl]sulfanylacetate Traditional Name: 2-[[3-cyano-6-(p-tolyl)-2-pyridyl]thio]acetic acid isopropyl ester Formula: C18H18N2O2S MolecularWeight: 326.41272

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O2S/c1-12(2)22-17(21)11-23-18-15(10-19)8-9-16(20-18)14-6-4-13(3)5-7-14/h4-9,12H,11H2,1-3H3