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

Systemtic Name: ethyl 5-cyano-6-[(5-ethanoyl-2-ethoxy-phenyl)methylsulfanyl]-2-methyl-pyridine-3-carboxylate Openeye Name: ethyl 6-[(5-acetyl-2-ethoxy-phenyl)methylsulfanyl]-5-cyano-2-methyl-pyridine-3-carboxylate CAS Name: 6-[(5-acetyl-2-ethoxyphenyl)methylthio]-5-cyano-2-methyl-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[(5-acetyl-2-ethoxyphenyl)methylsulfanyl]-5-cyano-2-methylpyridine-3-carboxylate Traditional Name: 6-[(5-acetyl-2-ethoxy-benzyl)thio]-5-cyano-2-methyl-nicotinic acid ethyl ester Formula: C21H22N2O4S MolecularWeight: 398.47538

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)C)CSC2=NC(=C(C=C2C#N)C(=O)OCC)C

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)C)CSC2=NC(=C(C=C2C#N)C(=O)OCC)C

InChI

InChI=1S/C21H22N2O4S/c1-5-26-19-8-7-15(14(4)24)9-17(19)12-28-20-16(11-22)10-18(13(3)23-20)21(25)27-6-2/h7-10H,5-6,12H2,1-4H3