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

Systemtic Name: 2-azanyl-3-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]propanoic acid Openeye Name: 2-amino-3-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]propanoic acid CAS Name: 2-amino-3-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylthio]propanoic acid IUPAC Name: 2-amino-3-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]propanoic acid Traditional Name: 2-amino-3-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylthio]propionic acid Formula: C12H12ClN3O3S MolecularWeight: 313.75998

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12ClN3O3S/c13-8-3-1-2-7(4-8)11-15-10(19-16-11)6-20-5-9(14)12(17)18/h1-4,9H,5-6,14H2,(H,17,18)