(5-phenyl-1,2-oxazol-3-yl)methyl 2-pyrimidin-2-ylsulfanylethanoate

Systemtic Name: (5-phenyl-1,2-oxazol-3-yl)methyl 2-pyrimidin-2-ylsulfanylethanoate Openeye Name: (5-phenylisoxazol-3-yl)methyl 2-pyrimidin-2-ylsulfanylacetate CAS Name: 2-(2-pyrimidinylthio)acetic acid (5-phenyl-3-isoxazolyl)methyl ester IUPAC Name: (5-phenyl-1,2-oxazol-3-yl)methyl 2-pyrimidin-2-ylsulfanylacetate Traditional Name: 2-(2-pyrimidylthio)acetic acid (5-phenylisoxazol-3-yl)methyl ester Formula: C16H13N3O3S MolecularWeight: 327.35772

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13N3O3S/c20-15(11-23-16-17-7-4-8-18-16)21-10-13-9-14(22-19-13)12-5-2-1-3-6-12/h1-9H,10-11H2