phenyl 2-(4-oxidanylidene-[1]benzofuro[3,2-d]pyrimidin-3-yl)ethanesulfonate

Systemtic Name: phenyl 2-(4-oxidanylidene-[1]benzofuro[3,2-d]pyrimidin-3-yl)ethanesulfonate Openeye Name: phenyl 2-(4-oxobenzofuro[3,2-d]pyrimidin-3-yl)ethanesulfonate CAS Name: 2-(4-oxo-3-benzofuro[3,2-d]pyrimidinyl)ethanesulfonic acid phenyl ester IUPAC Name: phenyl 2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)ethanesulfonate Traditional Name: 2-(4-ketobenzofuro[3,2-d]pyrimidin-3-yl)ethanesulfonic acid phenyl ester Formula: C18H14N2O5S MolecularWeight: 370.37916

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OS(=O)(=O)CCN2C=NC3=C(C2=O)OC4=CC=CC=C43

Isomeric SMILES

C1=CC=C(C=C1)OS(=O)(=O)CCN2C=NC3=C(C2=O)OC4=CC=CC=C43

InChI

InChI=1S/C18H14N2O5S/c21-18-17-16(14-8-4-5-9-15(14)24-17)19-12-20(18)10-11-26(22,23)25-13-6-2-1-3-7-13/h1-9,12H,10-11H2