[2-(3,4-dimethoxyphenyl)-2-oxidanylidene-ethyl] 3-cyano-6-cyclopropyl-2-methylsulfanyl-pyridine-4-carboxylate

Systemtic Name: [2-(3,4-dimethoxyphenyl)-2-oxidanylidene-ethyl] 3-cyano-6-cyclopropyl-2-methylsulfanyl-pyridine-4-carboxylate Openeye Name: [2-(3,4-dimethoxyphenyl)-2-oxo-ethyl] 3-cyano-6-cyclopropyl-2-methylsulfanyl-pyridine-4-carboxylate CAS Name: 3-cyano-6-cyclopropyl-2-(methylthio)-4-pyridinecarboxylic acid [2-(3,4-dimethoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dimethoxyphenyl)-2-oxoethyl] 3-cyano-6-cyclopropyl-2-methylsulfanylpyridine-4-carboxylate Traditional Name: 3-cyano-6-cyclopropyl-2-(methylthio)isonicotinic acid [2-(3,4-dimethoxyphenyl)-2-keto-ethyl] ester Formula: C21H20N2O5S MolecularWeight: 412.4589

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O5S/c1-26-18-7-6-13(8-19(18)27-2)17(24)11-28-21(25)14-9-16(12-4-5-12)23-20(29-3)15(14)10-22/h6-9,12H,4-5,11H2,1-3H3