2-[[5-(2,4,6-trimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanoate

Systemtic Name: 2-[[5-(2,4,6-trimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanoate Openeye Name: 2-[[5-(2,4,6-trimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate CAS Name: 2-[[5-(2,4,6-trimethylphenyl)-1,3,4-oxadiazol-2-yl]thio]acetate IUPAC Name: 2-[[5-(2,4,6-trimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate Traditional Name: 2-[(5-mesityl-1,3,4-oxadiazol-2-yl)thio]acetate Formula: C13H13N2O3S- MolecularWeight: 277.31892

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)C2=NN=C(O2)SCC(=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)C2=NN=C(O2)SCC(=O)[O-])C

InChI

InChI=1S/C13H14N2O3S/c1-7-4-8(2)11(9(3)5-7)12-14-15-13(18-12)19-6-10(16)17/h4-5H,6H2,1-3H3,(H,16,17)/p-1