2-[[5-[(2-bromanyl-4-ethyl-phenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethanoic acid

Systemtic Name: 2-[[5-[(2-bromanyl-4-ethyl-phenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[5-[(2-bromo-4-ethyl-phenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid CAS Name: 2-[[5-[(2-bromo-4-ethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]thio]acetic acid IUPAC Name: 2-[[5-[(2-bromo-4-ethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid Traditional Name: 2-[[5-[(2-bromo-4-ethyl-phenoxy)methyl]-1,3,4-oxadiazol-2-yl]thio]acetic acid Formula: C13H13BrN2O4S MolecularWeight: 373.22232

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)OCC2=NN=C(O2)SCC(=O)O)Br

Isomeric SMILES

CCC1=CC(=C(C=C1)OCC2=NN=C(O2)SCC(=O)O)Br

InChI

InChI=1S/C13H13BrN2O4S/c1-2-8-3-4-10(9(14)5-8)19-6-11-15-16-13(20-11)21-7-12(17)18/h3-5H,2,6-7H2,1H3,(H,17,18)