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

Systemtic Name: ethyl 5-cyano-6-[[5-(4-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methylsulfanyl]-2-methyl-pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-6-[[5-(4-fluorophenyl)-4-methyl-isoxazol-3-yl]methylsulfanyl]-2-methyl-pyridine-3-carboxylate CAS Name: 5-cyano-6-[[5-(4-fluorophenyl)-4-methyl-3-isoxazolyl]methylthio]-2-methyl-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-6-[[5-(4-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methylsulfanyl]-2-methylpyridine-3-carboxylate Traditional Name: 5-cyano-6-[[5-(4-fluorophenyl)-4-methyl-isoxazol-3-yl]methylthio]-2-methyl-nicotinic acid ethyl ester Formula: C21H18FN3O3S MolecularWeight: 411.449323

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C(=C1)C#N)SCC2=NOC(=C2C)C3=CC=C(C=C3)F)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1)C#N)SCC2=NOC(=C2C)C3=CC=C(C=C3)F)C

InChI

InChI=1S/C21H18FN3O3S/c1-4-27-21(26)17-9-15(10-23)20(24-13(17)3)29-11-18-12(2)19(28-25-18)14-5-7-16(22)8-6-14/h5-9H,4,11H2,1-3H3