phenyl 2-[5-(4-fluorophenyl)-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]ethanesulfonate

Systemtic Name: phenyl 2-[5-(4-fluorophenyl)-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]ethanesulfonate Openeye Name: phenyl 2-[5-(4-fluorophenyl)-4-oxo-thieno[2,3-d]pyrimidin-3-yl]ethanesulfonate CAS Name: 2-[5-(4-fluorophenyl)-4-oxo-3-thieno[2,3-d]pyrimidinyl]ethanesulfonic acid phenyl ester IUPAC Name: phenyl 2-[5-(4-fluorophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]ethanesulfonate Traditional Name: 2-[5-(4-fluorophenyl)-4-keto-thieno[2,3-d]pyrimidin-3-yl]ethanesulfonic acid phenyl ester Formula: C20H15FN2O4S2 MolecularWeight: 430.472503

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OS(=O)(=O)CCN2C=NC3=C(C2=O)C(=CS3)C4=CC=C(C=C4)F

Isomeric SMILES

C1=CC=C(C=C1)OS(=O)(=O)CCN2C=NC3=C(C2=O)C(=CS3)C4=CC=C(C=C4)F

InChI

InChI=1S/C20H15FN2O4S2/c21-15-8-6-14(7-9-15)17-12-28-19-18(17)20(24)23(13-22-19)10-11-29(25,26)27-16-4-2-1-3-5-16/h1-9,12-13H,10-11H2