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

Systemtic Name: 2-azanyl-3-[[5-(5-bromanylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]propanoic acid Openeye Name: 2-amino-3-[[5-(5-bromo-2-thienyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]propanoic acid CAS Name: 2-amino-3-[[5-(5-bromo-2-thiophenyl)-1,3,4-oxadiazol-2-yl]methylthio]propanoic acid IUPAC Name: 2-amino-3-[[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]propanoic acid Traditional Name: 2-amino-3-[[5-(5-bromo-2-thienyl)-1,3,4-oxadiazol-2-yl]methylthio]propionic acid Formula: C10H10BrN3O3S2 MolecularWeight: 364.2387

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(SC(=C1)Br)C2=NN=C(O2)CSCC(C(=O)O)N

Isomeric SMILES

C1=C(SC(=C1)Br)C2=NN=C(O2)CSCC(C(=O)O)N

InChI

InChI=1S/C10H10BrN3O3S2/c11-7-2-1-6(19-7)9-14-13-8(17-9)4-18-3-5(12)10(15)16/h1-2,5H,3-4,12H2,(H,15,16)