1-(7-tert-butyl-3,3-dimethyl-2H-1-benzofuran-5-yl)-3-methylsulfanyl-propan-1-one

Systemtic Name: 1-(7-tert-butyl-3,3-dimethyl-2H-1-benzofuran-5-yl)-3-methylsulfanyl-propan-1-one Openeye Name: 1-(7-tert-butyl-3,3-dimethyl-2H-benzofuran-5-yl)-3-methylsulfanyl-propan-1-one CAS Name: 1-(7-tert-butyl-3,3-dimethyl-2H-benzofuran-5-yl)-3-(methylthio)-1-propanone IUPAC Name: 1-(7-tert-butyl-3,3-dimethyl-2H-1-benzofuran-5-yl)-3-methylsulfanylpropan-1-one Traditional Name: 1-(7-tert-butyl-3,3-dimethyl-coumaran-5-yl)-3-(methylthio)propan-1-one Formula: C18H26O2S MolecularWeight: 306.46284

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(COC2=C1C=C(C=C2C(C)(C)C)C(=O)CCSC)C

Isomeric SMILES

CC1(COC2=C1C=C(C=C2C(C)(C)C)C(=O)CCSC)C

InChI

InChI=1S/C18H26O2S/c1-17(2,3)13-9-12(15(19)7-8-21-6)10-14-16(13)20-11-18(14,4)5/h9-10H,7-8,11H2,1-6H3