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

Systemtic Name: 3-[[5-(1,3-benzodioxol-5-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoic acid Openeye Name: 3-[[5-(1,3-benzodioxol-5-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoic acid CAS Name: 3-[[5-(1,3-benzodioxol-5-ylmethyl)-1,3,4-oxadiazol-2-yl]thio]propanoic acid IUPAC Name: 3-[[5-(1,3-benzodioxol-5-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoic acid Traditional Name: 3-[(5-piperonyl-1,3,4-oxadiazol-2-yl)thio]propionic acid Formula: C13H12N2O5S MolecularWeight: 308.30978

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CC3=NN=C(O3)SCCC(=O)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CC3=NN=C(O3)SCCC(=O)O

InChI

InChI=1S/C13H12N2O5S/c16-12(17)3-4-21-13-15-14-11(20-13)6-8-1-2-9-10(5-8)19-7-18-9/h1-2,5H,3-4,6-7H2,(H,16,17)