[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl 2-pyridin-4-ylsulfanylethanoate

Systemtic Name: [5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl 2-pyridin-4-ylsulfanylethanoate Openeye Name: [5-(3,4-dimethoxyphenyl)isoxazol-3-yl]methyl 2-(4-pyridylsulfanyl)acetate CAS Name: 2-(pyridin-4-ylthio)acetic acid [5-(3,4-dimethoxyphenyl)-3-isoxazolyl]methyl ester IUPAC Name: [5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl 2-pyridin-4-ylsulfanylacetate Traditional Name: 2-(4-pyridylthio)acetic 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)CSC3=CC=NC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CC(=NO2)COC(=O)CSC3=CC=NC=C3)OC

InChI

InChI=1S/C19H18N2O5S/c1-23-16-4-3-13(9-18(16)24-2)17-10-14(21-26-17)11-25-19(22)12-27-15-5-7-20-8-6-15/h3-10H,11-12H2,1-2H3