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

Systemtic Name: 2-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]propanoic acid Openeye Name: 2-[[3-(o-tolyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]propanoic acid CAS Name: 2-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methylthio]propanoic acid IUPAC Name: 2-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]propanoic acid Traditional Name: 2-[[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)CSC(C)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1C2=NOC(=N2)CSC(C)C(=O)O

InChI

InChI=1S/C13H14N2O3S/c1-8-5-3-4-6-10(8)12-14-11(18-15-12)7-19-9(2)13(16)17/h3-6,9H,7H2,1-2H3,(H,16,17)