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

Systemtic Name: 2-[[5-[(4-methylsulfanylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[5-[(4-methylsulfanylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid CAS Name: 2-[[5-[[4-(methylthio)phenoxy]methyl]-1,3,4-oxadiazol-2-yl]thio]acetic acid IUPAC Name: 2-[[5-[(4-methylsulfanylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid Traditional Name: 2-[[5-[[4-(methylthio)phenoxy]methyl]-1,3,4-oxadiazol-2-yl]thio]acetic acid Formula: C12H12N2O4S2 MolecularWeight: 312.36468

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)OCC2=NN=C(O2)SCC(=O)O

Isomeric SMILES

CSC1=CC=C(C=C1)OCC2=NN=C(O2)SCC(=O)O

InChI

InChI=1S/C12H12N2O4S2/c1-19-9-4-2-8(3-5-9)17-6-10-13-14-12(18-10)20-7-11(15)16/h2-5H,6-7H2,1H3,(H,15,16)