4-[[5-(quinolin-8-yloxymethyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzoic acid

Systemtic Name: 4-[[5-(quinolin-8-yloxymethyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzoic acid Openeye Name: 4-[[5-(8-quinolyloxymethyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzoic acid CAS Name: 4-[[[5-(8-quinolinyloxymethyl)-1,3,4-oxadiazol-2-yl]thio]methyl]benzoic acid IUPAC Name: 4-[[5-(quinolin-8-yloxymethyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzoic acid Traditional Name: 4-[[[5-(8-quinolyloxymethyl)-1,3,4-oxadiazol-2-yl]thio]methyl]benzoic acid Formula: C20H15N3O4S MolecularWeight: 393.4158

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)OCC3=NN=C(O3)SCC4=CC=C(C=C4)C(=O)O)N=CC=C2

Isomeric SMILES

C1=CC2=C(C(=C1)OCC3=NN=C(O3)SCC4=CC=C(C=C4)C(=O)O)N=CC=C2

InChI

InChI=1S/C20H15N3O4S/c24-19(25)15-8-6-13(7-9-15)12-28-20-23-22-17(27-20)11-26-16-5-1-3-14-4-2-10-21-18(14)16/h1-10H,11-12H2,(H,24,25)