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

Systemtic Name: 3-[[5-[(3,5-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]propanoate Openeye Name: 3-[[5-[(3,5-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]propanoate CAS Name: 3-[[5-[(3,5-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]thio]propanoate IUPAC Name: 3-[[5-[(3,5-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]propanoate Traditional Name: 3-[[5-[(3,5-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]thio]propionate Formula: C14H15N2O4S- MolecularWeight: 307.3449

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16N2O4S/c1-9-5-10(2)7-11(6-9)19-8-12-15-16-14(20-12)21-4-3-13(17)18/h5-7H,3-4,8H2,1-2H3,(H,17,18)/p-1