ethyl 5-cyano-6-[(5-ethanoyl-2-methoxy-phenyl)methylsulfanyl]-2-methyl-pyridine-3-carboxylate

Systemtic Name: ethyl 5-cyano-6-[(5-ethanoyl-2-methoxy-phenyl)methylsulfanyl]-2-methyl-pyridine-3-carboxylate Openeye Name: ethyl 6-[(5-acetyl-2-methoxy-phenyl)methylsulfanyl]-5-cyano-2-methyl-pyridine-3-carboxylate CAS Name: 6-[(5-acetyl-2-methoxyphenyl)methylthio]-5-cyano-2-methyl-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-5-cyano-2-methylpyridine-3-carboxylate Traditional Name: 6-[(5-acetyl-2-methoxy-benzyl)thio]-5-cyano-2-methyl-nicotinic acid ethyl ester Formula: C20H20N2O4S MolecularWeight: 384.4488

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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)C(=O)C)OC)C

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O4S/c1-5-26-20(24)17-9-15(10-21)19(22-12(17)2)27-11-16-8-14(13(3)23)6-7-18(16)25-4/h6-9H,5,11H2,1-4H3