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

Systemtic Name: 2-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoic acid Openeye Name: 2-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoic acid CAS Name: 2-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]thio]propanoic acid IUPAC Name: 2-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoic acid Traditional Name: 2-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]thio]propionic acid Formula: C13H14N2O5S MolecularWeight: 310.32566

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SC1=NN=C(O1)C2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CC(C(=O)O)SC1=NN=C(O1)C2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C13H14N2O5S/c1-7(12(16)17)21-13-15-14-11(20-13)8-4-5-9(18-2)10(6-8)19-3/h4-7H,1-3H3,(H,16,17)