S-(4-methylphenyl) 2-(5-propan-2-yl-1-benzofuran-3-yl)ethanethioate

Systemtic Name: S-(4-methylphenyl) 2-(5-propan-2-yl-1-benzofuran-3-yl)ethanethioate Openeye Name: S-(p-tolyl) 2-(5-isopropylbenzofuran-3-yl)ethanethioate CAS Name: 2-(5-propan-2-yl-3-benzofuranyl)ethanethioic acid S-(4-methylphenyl) ester IUPAC Name: S-(4-methylphenyl) 2-(5-propan-2-yl-1-benzofuran-3-yl)ethanethioate Traditional Name: 2-(5-isopropylbenzofuran-3-yl)ethanethioic acid S-(p-tolyl) ester Formula: C20H20O2S MolecularWeight: 324.4366

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC(=O)CC2=COC3=C2C=C(C=C3)C(C)C

Isomeric SMILES

CC1=CC=C(C=C1)SC(=O)CC2=COC3=C2C=C(C=C3)C(C)C

InChI

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