phenyl 2-(4-oxidanylidenethieno[2,3-d]pyrimidin-3-yl)ethanesulfonate

Systemtic Name: phenyl 2-(4-oxidanylidenethieno[2,3-d]pyrimidin-3-yl)ethanesulfonate Openeye Name: phenyl 2-(4-oxothieno[2,3-d]pyrimidin-3-yl)ethanesulfonate CAS Name: 2-(4-oxo-3-thieno[2,3-d]pyrimidinyl)ethanesulfonic acid phenyl ester IUPAC Name: phenyl 2-(4-oxothieno[2,3-d]pyrimidin-3-yl)ethanesulfonate Traditional Name: 2-(4-ketothieno[2,3-d]pyrimidin-3-yl)ethanesulfonic acid phenyl ester Formula: C14H12N2O4S2 MolecularWeight: 336.38608

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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

Isomeric SMILES

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

InChI

InChI=1S/C14H12N2O4S2/c17-14-12-6-8-21-13(12)15-10-16(14)7-9-22(18,19)20-11-4-2-1-3-5-11/h1-6,8,10H,7,9H2