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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN=C(O2)SCCC(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN=C(O2)SCCC(=O)O)OC

InChI

InChI=1S/C13H14N2O5S/c1-18-9-4-3-8(7-10(9)19-2)12-14-15-13(20-12)21-6-5-11(16)17/h3-4,7H,5-6H2,1-2H3,(H,16,17)