S-(4-methylphenyl) 2-(6-methyl-1-benzofuran-3-yl)ethanethioate

Systemtic Name: S-(4-methylphenyl) 2-(6-methyl-1-benzofuran-3-yl)ethanethioate Openeye Name: S-(p-tolyl) 2-(6-methylbenzofuran-3-yl)ethanethioate CAS Name: 2-(6-methyl-3-benzofuranyl)ethanethioic acid S-(4-methylphenyl) ester IUPAC Name: S-(4-methylphenyl) 2-(6-methyl-1-benzofuran-3-yl)ethanethioate Traditional Name: 2-(6-methylbenzofuran-3-yl)ethanethioic acid S-(p-tolyl) ester Formula: C18H16O2S MolecularWeight: 296.38344

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16O2S/c1-12-3-6-15(7-4-12)21-18(19)10-14-11-20-17-9-13(2)5-8-16(14)17/h3-9,11H,10H2,1-2H3