5,5-dimethyl-2-[2-(2-oxidanylidene-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)ethanoyl]cyclohexane-1,3-dione

Systemtic Name: 5,5-dimethyl-2-[2-(2-oxidanylidene-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)ethanoyl]cyclohexane-1,3-dione Openeye Name: 5,5-dimethyl-2-[2-[2-oxo-5-(2-thienyl)-1,3,4-oxadiazol-3-yl]acetyl]cyclohexane-1,3-dione CAS Name: 5,5-dimethyl-2-[1-oxo-2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)ethyl]cyclohexane-1,3-dione IUPAC Name: 5,5-dimethyl-2-[2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetyl]cyclohexane-1,3-dione Traditional Name: 2-[2-[2-keto-5-(2-thienyl)-1,3,4-oxadiazol-3-yl]acetyl]-5,5-dimethyl-cyclohexane-1,3-quinone Formula: C16H16N2O5S MolecularWeight: 348.37364

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)C(C(=O)C1)C(=O)CN2C(=O)OC(=N2)C3=CC=CS3)C

Isomeric SMILES

CC1(CC(=O)C(C(=O)C1)C(=O)CN2C(=O)OC(=N2)C3=CC=CS3)C

InChI

InChI=1S/C16H16N2O5S/c1-16(2)6-9(19)13(10(20)7-16)11(21)8-18-15(22)23-14(17-18)12-4-3-5-24-12/h3-5,13H,6-8H2,1-2H3