[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl 2-methylsulfanylpyridine-3-carboxylate

Systemtic Name: [5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl 2-methylsulfanylpyridine-3-carboxylate Openeye Name: [5-(3,4-dimethoxyphenyl)isoxazol-3-yl]methyl 2-methylsulfanylpyridine-3-carboxylate CAS Name: 2-(methylthio)-3-pyridinecarboxylic acid [5-(3,4-dimethoxyphenyl)-3-isoxazolyl]methyl ester IUPAC Name: [5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl 2-methylsulfanylpyridine-3-carboxylate Traditional Name: 2-(methylthio)nicotinic acid [5-(3,4-dimethoxyphenyl)isoxazol-3-yl]methyl ester Formula: C19H18N2O5S MolecularWeight: 386.42162

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18N2O5S/c1-23-15-7-6-12(9-17(15)24-2)16-10-13(21-26-16)11-25-19(22)14-5-4-8-20-18(14)27-3/h4-10H,11H2,1-3H3