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

Systemtic Name: [5-(1-benzofuran-2-yl)-1,2-oxazol-3-yl]methyl 2-pyrimidin-2-ylsulfanylethanoate Openeye Name: [5-(benzofuran-2-yl)isoxazol-3-yl]methyl 2-pyrimidin-2-ylsulfanylacetate CAS Name: 2-(2-pyrimidinylthio)acetic acid [5-(2-benzofuranyl)-3-isoxazolyl]methyl ester IUPAC Name: [5-(1-benzofuran-2-yl)-1,2-oxazol-3-yl]methyl 2-pyrimidin-2-ylsulfanylacetate Traditional Name: 2-(2-pyrimidylthio)acetic acid [5-(benzofuran-2-yl)isoxazol-3-yl]methyl ester Formula: C18H13N3O4S MolecularWeight: 367.37852

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(O2)C3=CC(=NO3)COC(=O)CSC4=NC=CC=N4

Isomeric SMILES

C1=CC=C2C(=C1)C=C(O2)C3=CC(=NO3)COC(=O)CSC4=NC=CC=N4

InChI

InChI=1S/C18H13N3O4S/c22-17(11-26-18-19-6-3-7-20-18)23-10-13-9-16(25-21-13)15-8-12-4-1-2-5-14(12)24-15/h1-9H,10-11H2