ethyl 5-cyano-6-[(2,5-dimethoxyphenyl)methylsulfanyl]-2-methyl-pyridine-3-carboxylate

Systemtic Name: ethyl 5-cyano-6-[(2,5-dimethoxyphenyl)methylsulfanyl]-2-methyl-pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-6-[(2,5-dimethoxyphenyl)methylsulfanyl]-2-methyl-pyridine-3-carboxylate CAS Name: 5-cyano-6-[(2,5-dimethoxyphenyl)methylthio]-2-methyl-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-6-[(2,5-dimethoxyphenyl)methylsulfanyl]-2-methylpyridine-3-carboxylate Traditional Name: 5-cyano-6-[(2,5-dimethoxybenzyl)thio]-2-methyl-nicotinic acid ethyl ester Formula: C19H20N2O4S MolecularWeight: 372.4381

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C(=C1)C#N)SCC2=C(C=CC(=C2)OC)OC)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1)C#N)SCC2=C(C=CC(=C2)OC)OC)C

InChI

InChI=1S/C19H20N2O4S/c1-5-25-19(22)16-9-13(10-20)18(21-12(16)2)26-11-14-8-15(23-3)6-7-17(14)24-4/h6-9H,5,11H2,1-4H3