5-ethanoyl-2-(furan-2-ylmethylsulfanyl)-2,5-dimethyl-oxolan-3-one

Systemtic Name: 5-ethanoyl-2-(furan-2-ylmethylsulfanyl)-2,5-dimethyl-oxolan-3-one Openeye Name: 5-acetyl-2-(2-furylmethylsulfanyl)-2,5-dimethyl-tetrahydrofuran-3-one CAS Name: 5-acetyl-2-(2-furanylmethylthio)-2,5-dimethyl-3-oxolanone IUPAC Name: 5-acetyl-2-(furan-2-ylmethylsulfanyl)-2,5-dimethyloxolan-3-one Traditional Name: 5-acetyl-2-(2-furfurylthio)-2,5-dimethyl-tetrahydrofuran-3-one Formula: C13H16O4S MolecularWeight: 268.32874

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1(CC(=O)C(O1)(C)SCC2=CC=CO2)C

Isomeric SMILES

CC(=O)C1(CC(=O)C(O1)(C)SCC2=CC=CO2)C

InChI

InChI=1S/C13H16O4S/c1-9(14)12(2)7-11(15)13(3,17-12)18-8-10-5-4-6-16-10/h4-6H,7-8H2,1-3H3