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

Systemtic Name: 3-[[5-(azepan-1-ylcarbonyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]propanoic acid Openeye Name: 3-[[5-(azepane-1-carbonyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]propanoic acid CAS Name: 3-[[5-[1-azepanyl(oxo)methyl]-1,2,4-oxadiazol-3-yl]methylthio]propanoic acid IUPAC Name: 3-[[5-(azepane-1-carbonyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]propanoic acid Traditional Name: 3-[[5-(azepane-1-carbonyl)-1,2,4-oxadiazol-3-yl]methylthio]propionic acid Formula: C13H19N3O4S MolecularWeight: 313.37266

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2=NC(=NO2)CSCCC(=O)O

Isomeric SMILES

C1CCCN(CC1)C(=O)C2=NC(=NO2)CSCCC(=O)O

InChI

InChI=1S/C13H19N3O4S/c17-11(18)5-8-21-9-10-14-12(20-15-10)13(19)16-6-3-1-2-4-7-16/h1-9H2,(H,17,18)