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

Systemtic Name: 2-[[5-(azepan-1-ylcarbonyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]ethanoic acid Openeye Name: 2-[[5-(azepane-1-carbonyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]acetic acid CAS Name: 2-[[5-[1-azepanyl(oxo)methyl]-1,2,4-oxadiazol-3-yl]methylthio]acetic acid IUPAC Name: 2-[[5-(azepane-1-carbonyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]acetic acid Traditional Name: 2-[[5-(azepane-1-carbonyl)-1,2,4-oxadiazol-3-yl]methylthio]acetic acid Formula: C12H17N3O4S MolecularWeight: 299.34608

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17N3O4S/c16-10(17)8-20-7-9-13-11(19-14-9)12(18)15-5-3-1-2-4-6-15/h1-8H2,(H,16,17)