2-(4-methoxyphenyl)ethyl 3-cyano-6-cyclopropyl-2-methylsulfanyl-pyridine-4-carboxylate

Systemtic Name: 2-(4-methoxyphenyl)ethyl 3-cyano-6-cyclopropyl-2-methylsulfanyl-pyridine-4-carboxylate Openeye Name: 2-(4-methoxyphenyl)ethyl 3-cyano-6-cyclopropyl-2-methylsulfanyl-pyridine-4-carboxylate CAS Name: 3-cyano-6-cyclopropyl-2-(methylthio)-4-pyridinecarboxylic acid 2-(4-methoxyphenyl)ethyl ester IUPAC Name: 2-(4-methoxyphenyl)ethyl 3-cyano-6-cyclopropyl-2-methylsulfanylpyridine-4-carboxylate Traditional Name: 3-cyano-6-cyclopropyl-2-(methylthio)isonicotinic acid 2-(4-methoxyphenyl)ethyl ester Formula: C20H20N2O3S MolecularWeight: 368.4494

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCOC(=O)C2=CC(=NC(=C2C#N)SC)C3CC3

Isomeric SMILES

COC1=CC=C(C=C1)CCOC(=O)C2=CC(=NC(=C2C#N)SC)C3CC3

InChI

InChI=1S/C20H20N2O3S/c1-24-15-7-3-13(4-8-15)9-10-25-20(23)16-11-18(14-5-6-14)22-19(26-2)17(16)12-21/h3-4,7-8,11,14H,5-6,9-10H2,1-2H3