ethyl 2-[3-cyano-6-cyclopropyl-4-(4-methoxyphenyl)pyridin-2-yl]sulfanylethanoate

Systemtic Name: ethyl 2-[3-cyano-6-cyclopropyl-4-(4-methoxyphenyl)pyridin-2-yl]sulfanylethanoate Openeye Name: ethyl 2-[[3-cyano-6-cyclopropyl-4-(4-methoxyphenyl)-2-pyridyl]sulfanyl]acetate CAS Name: 2-[[3-cyano-6-cyclopropyl-4-(4-methoxyphenyl)-2-pyridinyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[3-cyano-6-cyclopropyl-4-(4-methoxyphenyl)pyridin-2-yl]sulfanylacetate Traditional Name: 2-[[3-cyano-6-cyclopropyl-4-(4-methoxyphenyl)-2-pyridyl]thio]acetic acid ethyl ester Formula: C20H20N2O3S MolecularWeight: 368.4494

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=C(C(=CC(=N1)C2CC2)C3=CC=C(C=C3)OC)C#N

Isomeric SMILES

CCOC(=O)CSC1=C(C(=CC(=N1)C2CC2)C3=CC=C(C=C3)OC)C#N

InChI

InChI=1S/C20H20N2O3S/c1-3-25-19(23)12-26-20-17(11-21)16(10-18(22-20)14-4-5-14)13-6-8-15(24-2)9-7-13/h6-10,14H,3-5,12H2,1-2H3