phenyl 2-[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanesulfonate

Systemtic Name: phenyl 2-[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanesulfonate Openeye Name: phenyl 2-[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanesulfonate CAS Name: 2-[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]thio]ethanesulfonic acid phenyl ester IUPAC Name: phenyl 2-[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanesulfonate Traditional Name: 2-[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]thio]ethanesulfonic acid phenyl ester Formula: C17H14N2O6S2 MolecularWeight: 406.43286

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=NN=C(O3)SCCS(=O)(=O)OC4=CC=CC=C4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=NN=C(O3)SCCS(=O)(=O)OC4=CC=CC=C4

InChI

InChI=1S/C17H14N2O6S2/c20-27(21,25-13-4-2-1-3-5-13)9-8-26-17-19-18-16(24-17)12-6-7-14-15(10-12)23-11-22-14/h1-7,10H,8-9,11H2