3-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]propanoic acid

Systemtic Name: 3-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]propanoic acid Openeye Name: 3-[[3-(o-tolyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]propanoic acid CAS Name: 3-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methylthio]propanoic acid IUPAC Name: 3-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]propanoic acid Traditional Name: 3-[[3-(o-tolyl)-1,2,4-oxadiazol-5-yl]methylthio]propionic acid Formula: C13H14N2O3S MolecularWeight: 278.32686

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NOC(=N2)CSCCC(=O)O

Isomeric SMILES

CC1=CC=CC=C1C2=NOC(=N2)CSCCC(=O)O

InChI

InChI=1S/C13H14N2O3S/c1-9-4-2-3-5-10(9)13-14-11(18-15-13)8-19-7-6-12(16)17/h2-5H,6-8H2,1H3,(H,16,17)