6-[5-(phenylmethylsulfanyl)-1,3,4-oxadiazol-2-yl]-9-oxaspiro[4.4]nonan-8-one

Systemtic Name: 6-[5-(phenylmethylsulfanyl)-1,3,4-oxadiazol-2-yl]-9-oxaspiro[4.4]nonan-8-one Openeye Name: 6-(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)-9-oxaspiro[4.4]nonan-8-one CAS Name: 6-[5-(phenylmethylthio)-1,3,4-oxadiazol-2-yl]-9-oxaspiro[4.4]nonan-8-one IUPAC Name: 6-(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)-9-oxaspiro[4.4]nonan-8-one Traditional Name: 6-[5-(benzylthio)-1,3,4-oxadiazol-2-yl]-9-oxaspiro[4.4]nonan-8-one Formula: C17H18N2O3S MolecularWeight: 330.40142

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(C1)C(CC(=O)O2)C3=NN=C(O3)SCC4=CC=CC=C4

Isomeric SMILES

C1CCC2(C1)C(CC(=O)O2)C3=NN=C(O3)SCC4=CC=CC=C4

InChI

InChI=1S/C17H18N2O3S/c20-14-10-13(17(22-14)8-4-5-9-17)15-18-19-16(21-15)23-11-12-6-2-1-3-7-12/h1-3,6-7,13H,4-5,8-11H2