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

Systemtic Name: 2-azanyl-3-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]propanoic acid Openeye Name: 2-amino-3-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]propanoic acid CAS Name: 2-amino-3-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methylthio]propanoic acid IUPAC Name: 2-amino-3-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]propanoic acid Traditional Name: 2-amino-3-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methylthio]propionic acid Formula: C12H12BrN3O3S MolecularWeight: 358.21098

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NN=C(O2)CSCC(C(=O)O)N)Br

Isomeric SMILES

C1=CC(=CC=C1C2=NN=C(O2)CSCC(C(=O)O)N)Br

InChI

InChI=1S/C12H12BrN3O3S/c13-8-3-1-7(2-4-8)11-16-15-10(19-11)6-20-5-9(14)12(17)18/h1-4,9H,5-6,14H2,(H,17,18)