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

Systemtic Name: ethyl 6-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methylsulfanyl]-5-cyano-2-methyl-pyridine-3-carboxylate Openeye Name: ethyl 6-[[3-(4-chlorophenyl)isoxazol-5-yl]methylsulfanyl]-5-cyano-2-methyl-pyridine-3-carboxylate CAS Name: 6-[[3-(4-chlorophenyl)-5-isoxazolyl]methylthio]-5-cyano-2-methyl-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methylsulfanyl]-5-cyano-2-methylpyridine-3-carboxylate Traditional Name: 6-[[3-(4-chlorophenyl)isoxazol-5-yl]methylthio]-5-cyano-2-methyl-nicotinic acid ethyl ester Formula: C20H16ClN3O3S MolecularWeight: 413.87734

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C(=C1)C#N)SCC2=CC(=NO2)C3=CC=C(C=C3)Cl)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1)C#N)SCC2=CC(=NO2)C3=CC=C(C=C3)Cl)C

InChI

InChI=1S/C20H16ClN3O3S/c1-3-26-20(25)17-8-14(10-22)19(23-12(17)2)28-11-16-9-18(24-27-16)13-4-6-15(21)7-5-13/h4-9H,3,11H2,1-2H3