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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=NO2)CSC(C)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=NO2)CSC(C)C(=O)O

InChI

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