2,5-diethyl-4-(phenylmethylsulfanyl)furan-3-one

Systemtic Name: 2,5-diethyl-4-(phenylmethylsulfanyl)furan-3-one Openeye Name: 4-benzylsulfanyl-2,5-diethyl-furan-3-one CAS Name: 2,5-diethyl-4-(phenylmethylthio)-3-furanone IUPAC Name: 4-benzylsulfanyl-2,5-diethylfuran-3-one Traditional Name: 4-(benzylthio)-2,5-diethyl-furan-3-one Formula: C15H18O2S MolecularWeight: 262.36722

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=O)C(=C(O1)CC)SCC2=CC=CC=C2

Isomeric SMILES

CCC1C(=O)C(=C(O1)CC)SCC2=CC=CC=C2

InChI

InChI=1S/C15H18O2S/c1-3-12-14(16)15(13(4-2)17-12)18-10-11-8-6-5-7-9-11/h5-9,12H,3-4,10H2,1-2H3