2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)ethanoate

Systemtic Name: 2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)ethanoate Openeye Name: 2-(benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)acetate CAS Name: 2-(4-benzofuro[3,2-d]pyrimidinylthio)acetate IUPAC Name: 2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)acetate Traditional Name: 2-(benzofuro[3,2-d]pyrimidin-4-ylthio)acetate Formula: C12H7N2O3S- MolecularWeight: 259.26058

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C3=C(O2)C(=NC=N3)SCC(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C3=C(O2)C(=NC=N3)SCC(=O)[O-]

InChI

InChI=1S/C12H8N2O3S/c15-9(16)5-18-12-11-10(13-6-14-12)7-3-1-2-4-8(7)17-11/h1-4,6H,5H2,(H,15,16)/p-1