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

Systemtic Name: 4-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-sulfanyl-methyl]benzoic acid Openeye Name: 4-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-sulfanyl-methyl]benzoic acid CAS Name: 4-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-mercaptomethyl]benzoic acid IUPAC Name: 4-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-sulfanylmethyl]benzoic acid Traditional Name: 4-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-mercapto-methyl]benzoic acid Formula: C18H16N2O5S MolecularWeight: 372.39504

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN=C(O2)C(C3=CC=C(C=C3)C(=O)O)S)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN=C(O2)C(C3=CC=C(C=C3)C(=O)O)S)OC

InChI

InChI=1S/C18H16N2O5S/c1-23-13-8-7-12(9-14(13)24-2)16-19-20-17(25-16)15(26)10-3-5-11(6-4-10)18(21)22/h3-9,15,26H,1-2H3,(H,21,22)