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

Systemtic Name: [5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methyl 2-pyrimidin-2-ylsulfanylethanoate Openeye Name: [5-(1,3-benzodioxol-5-yl)isoxazol-3-yl]methyl 2-pyrimidin-2-ylsulfanylacetate CAS Name: 2-(2-pyrimidinylthio)acetic acid [5-(1,3-benzodioxol-5-yl)-3-isoxazolyl]methyl ester IUPAC Name: [5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methyl 2-pyrimidin-2-ylsulfanylacetate Traditional Name: 2-(2-pyrimidylthio)acetic acid [5-(1,3-benzodioxol-5-yl)isoxazol-3-yl]methyl ester Formula: C17H13N3O5S MolecularWeight: 371.36722

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=CC(=NO3)COC(=O)CSC4=NC=CC=N4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=CC(=NO3)COC(=O)CSC4=NC=CC=N4

InChI

InChI=1S/C17H13N3O5S/c21-16(9-26-17-18-4-1-5-19-17)22-8-12-7-14(25-20-12)11-2-3-13-15(6-11)24-10-23-13/h1-7H,8-10H2