phenyl 2-(1,3-benzoxazol-2-ylsulfanyl)ethanesulfonate

Systemtic Name: phenyl 2-(1,3-benzoxazol-2-ylsulfanyl)ethanesulfonate Openeye Name: phenyl 2-(1,3-benzoxazol-2-ylsulfanyl)ethanesulfonate CAS Name: 2-(1,3-benzoxazol-2-ylthio)ethanesulfonic acid phenyl ester IUPAC Name: phenyl 2-(1,3-benzoxazol-2-ylsulfanyl)ethanesulfonate Traditional Name: 2-(1,3-benzoxazol-2-ylthio)ethanesulfonic acid phenyl ester Formula: C15H13NO4S2 MolecularWeight: 335.39802

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OS(=O)(=O)CCSC2=NC3=CC=CC=C3O2

Isomeric SMILES

C1=CC=C(C=C1)OS(=O)(=O)CCSC2=NC3=CC=CC=C3O2

InChI

InChI=1S/C15H13NO4S2/c17-22(18,20-12-6-2-1-3-7-12)11-10-21-15-16-13-8-4-5-9-14(13)19-15/h1-9H,10-11H2