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

Systemtic Name: [5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl 2-pyrimidin-2-ylsulfanylethanoate Openeye Name: [5-(3,4-dimethoxyphenyl)isoxazol-3-yl]methyl 2-pyrimidin-2-ylsulfanylacetate CAS Name: 2-(2-pyrimidinylthio)acetic acid [5-(3,4-dimethoxyphenyl)-3-isoxazolyl]methyl ester IUPAC Name: [5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl 2-pyrimidin-2-ylsulfanylacetate Traditional Name: 2-(2-pyrimidylthio)acetic acid [5-(3,4-dimethoxyphenyl)isoxazol-3-yl]methyl ester Formula: C18H17N3O5S MolecularWeight: 387.40968

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CC(=NO2)COC(=O)CSC3=NC=CC=N3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CC(=NO2)COC(=O)CSC3=NC=CC=N3)OC

InChI

InChI=1S/C18H17N3O5S/c1-23-14-5-4-12(8-16(14)24-2)15-9-13(21-26-15)10-25-17(22)11-27-18-19-6-3-7-20-18/h3-9H,10-11H2,1-2H3