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

Systemtic Name: 4-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzoic acid Openeye Name: 4-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzoic acid CAS Name: 4-[[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]thio]methyl]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]thio]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)SCC3=CC=C(C=C3)C(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN=C(O2)SCC3=CC=C(C=C3)C(=O)O)OC

InChI

InChI=1S/C18H16N2O5S/c1-23-14-8-7-13(9-15(14)24-2)16-19-20-18(25-16)26-10-11-3-5-12(6-4-11)17(21)22/h3-9H,10H2,1-2H3,(H,21,22)