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

Systemtic Name: 4-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzoic acid Openeye Name: 4-[[5-(2-furyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzoic acid CAS Name: 4-[[[5-(2-furanyl)-1,3,4-oxadiazol-2-yl]thio]methyl]benzoic acid IUPAC Name: 4-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzoic acid Traditional Name: 4-[[[5-(2-furyl)-1,3,4-oxadiazol-2-yl]thio]methyl]benzoic acid Formula: C14H10N2O4S MolecularWeight: 302.3052

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H10N2O4S/c17-13(18)10-5-3-9(4-6-10)8-21-14-16-15-12(20-14)11-2-1-7-19-11/h1-7H,8H2,(H,17,18)