5,5-dimethyl-4-(4-methylsulfanylphenyl)-3-(phenylmethyl)furan-2-one

Systemtic Name: 5,5-dimethyl-4-(4-methylsulfanylphenyl)-3-(phenylmethyl)furan-2-one Openeye Name: 3-benzyl-5,5-dimethyl-4-(4-methylsulfanylphenyl)furan-2-one CAS Name: 5,5-dimethyl-4-[4-(methylthio)phenyl]-3-(phenylmethyl)-2-furanone IUPAC Name: 3-benzyl-5,5-dimethyl-4-(4-methylsulfanylphenyl)furan-2-one Traditional Name: 3-benzyl-5,5-dimethyl-4-[4-(methylthio)phenyl]furan-2-one Formula: C20H20O2S MolecularWeight: 324.4366

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=C(C(=O)O1)CC2=CC=CC=C2)C3=CC=C(C=C3)SC)C

Isomeric SMILES

CC1(C(=C(C(=O)O1)CC2=CC=CC=C2)C3=CC=C(C=C3)SC)C

InChI

InChI=1S/C20H20O2S/c1-20(2)18(15-9-11-16(23-3)12-10-15)17(19(21)22-20)13-14-7-5-4-6-8-14/h4-12H,13H2,1-3H3