3-[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoic acid

Systemtic Name: 3-[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoic acid Openeye Name: 3-[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoic acid CAS Name: 3-[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]thio]propanoic acid IUPAC Name: 3-[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoic acid Traditional Name: 3-[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]thio]propionic acid Formula: C12H10N2O5S MolecularWeight: 294.2832

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=NN=C(O3)SCCC(=O)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=NN=C(O3)SCCC(=O)O

InChI

InChI=1S/C12H10N2O5S/c15-10(16)3-4-20-12-14-13-11(19-12)7-1-2-8-9(5-7)18-6-17-8/h1-2,5H,3-4,6H2,(H,15,16)