[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl 2-methylsulfanylpyridine-3-carboxylate

Systemtic Name: [5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl 2-methylsulfanylpyridine-3-carboxylate Openeye Name: [5-(3-methoxyphenyl)isoxazol-3-yl]methyl 2-methylsulfanylpyridine-3-carboxylate CAS Name: 2-(methylthio)-3-pyridinecarboxylic acid [5-(3-methoxyphenyl)-3-isoxazolyl]methyl ester IUPAC Name: [5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl 2-methylsulfanylpyridine-3-carboxylate Traditional Name: 2-(methylthio)nicotinic acid [5-(3-methoxyphenyl)isoxazol-3-yl]methyl ester Formula: C18H16N2O4S MolecularWeight: 356.39564

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=CC(=NO2)COC(=O)C3=C(N=CC=C3)SC

Isomeric SMILES

COC1=CC=CC(=C1)C2=CC(=NO2)COC(=O)C3=C(N=CC=C3)SC

InChI

InChI=1S/C18H16N2O4S/c1-22-14-6-3-5-12(9-14)16-10-13(20-24-16)11-23-18(21)15-7-4-8-19-17(15)25-2/h3-10H,11H2,1-2H3