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

Systemtic Name: 2-[[5-(2,2-dimethylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanoate Openeye Name: 2-[[5-(2,2-dimethylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate CAS Name: 2-[[5-(2,2-dimethylpropyl)-1,3,4-oxadiazol-2-yl]thio]acetate IUPAC Name: 2-[[5-(2,2-dimethylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate Traditional Name: 2-[(5-neopentyl-1,3,4-oxadiazol-2-yl)thio]acetate Formula: C9H13N2O3S- MolecularWeight: 229.27612

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC1=NN=C(O1)SCC(=O)[O-]

Isomeric SMILES

CC(C)(C)CC1=NN=C(O1)SCC(=O)[O-]

InChI

InChI=1S/C9H14N2O3S/c1-9(2,3)4-6-10-11-8(14-6)15-5-7(12)13/h4-5H2,1-3H3,(H,12,13)/p-1