phenyl 2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanesulfonate

Systemtic Name: phenyl 2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanesulfonate Openeye Name: phenyl 2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanesulfonate CAS Name: 2-(4-thieno[2,3-d]pyrimidinylthio)ethanesulfonic acid phenyl ester IUPAC Name: phenyl 2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanesulfonate Traditional Name: 2-(thieno[2,3-d]pyrimidin-4-ylthio)ethanesulfonic acid phenyl ester Formula: C14H12N2O3S3 MolecularWeight: 352.45168

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OS(=O)(=O)CCSC2=NC=NC3=C2C=CS3

Isomeric SMILES

C1=CC=C(C=C1)OS(=O)(=O)CCSC2=NC=NC3=C2C=CS3

InChI

InChI=1S/C14H12N2O3S3/c17-22(18,19-11-4-2-1-3-5-11)9-8-21-14-12-6-7-20-13(12)15-10-16-14/h1-7,10H,8-9H2