ethyl 5-cyano-6-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-2-methyl-pyridine-3-carboxylate

Systemtic Name: ethyl 5-cyano-6-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-2-methyl-pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-6-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-2-methyl-pyridine-3-carboxylate CAS Name: 5-cyano-6-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methylthio]-2-methyl-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-6-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-2-methylpyridine-3-carboxylate Traditional Name: 5-cyano-2-methyl-6-[(3-o-phenetyl-1,2,4-oxadiazol-5-yl)methylthio]nicotinic acid ethyl ester Formula: C21H20N4O4S MolecularWeight: 424.4729

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C2=NOC(=N2)CSC3=NC(=C(C=C3C#N)C(=O)OCC)C

Isomeric SMILES

CCOC1=CC=CC=C1C2=NOC(=N2)CSC3=NC(=C(C=C3C#N)C(=O)OCC)C

InChI

InChI=1S/C21H20N4O4S/c1-4-27-17-9-7-6-8-15(17)19-24-18(29-25-19)12-30-20-14(11-22)10-16(13(3)23-20)21(26)28-5-2/h6-10H,4-5,12H2,1-3H3