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

Systemtic Name: 2-azanyl-3-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]propanoic acid Openeye Name: 2-amino-3-[[3-(p-tolyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]propanoic acid CAS Name: 2-amino-3-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methylthio]propanoic acid IUPAC Name: 2-amino-3-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]propanoic acid Traditional Name: 2-amino-3-[[3-(p-tolyl)-1,2,4-oxadiazol-5-yl]methylthio]propionic acid Formula: C13H15N3O3S MolecularWeight: 293.3415

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NOC(=N2)CSCC(C(=O)O)N

Isomeric SMILES

CC1=CC=C(C=C1)C2=NOC(=N2)CSCC(C(=O)O)N

InChI

InChI=1S/C13H15N3O3S/c1-8-2-4-9(5-3-8)12-15-11(19-16-12)7-20-6-10(14)13(17)18/h2-5,10H,6-7,14H2,1H3,(H,17,18)