2-[[5-[(3,5-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethanoate

Systemtic Name: 2-[[5-[(3,5-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethanoate Openeye Name: 2-[[5-[(3,5-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetate CAS Name: 2-[[5-[(3,5-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]thio]acetate IUPAC Name: 2-[[5-[(3,5-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetate Traditional Name: 2-[[5-[(3,5-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]thio]acetate Formula: C13H13N2O4S- MolecularWeight: 293.31832

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCC2=NN=C(O2)SCC(=O)[O-])C

Isomeric SMILES

CC1=CC(=CC(=C1)OCC2=NN=C(O2)SCC(=O)[O-])C

InChI

InChI=1S/C13H14N2O4S/c1-8-3-9(2)5-10(4-8)18-6-11-14-15-13(19-11)20-7-12(16)17/h3-5H,6-7H2,1-2H3,(H,16,17)/p-1