S-(4-methylphenyl) 2-benzo[e][1]benzofuran-1-ylethanethioate

Systemtic Name: S-(4-methylphenyl) 2-benzo[e][1]benzofuran-1-ylethanethioate Openeye Name: S-(p-tolyl) 2-benzo[e]benzofuran-1-ylethanethioate CAS Name: 2-(1-benzo[e]benzofuranyl)ethanethioic acid S-(4-methylphenyl) ester IUPAC Name: S-(4-methylphenyl) 2-benzo[e][1]benzofuran-1-ylethanethioate Traditional Name: 2-benzo[e]benzofuran-1-ylethanethioic acid S-(p-tolyl) ester Formula: C21H16O2S MolecularWeight: 332.41554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC(=O)CC2=COC3=C2C4=CC=CC=C4C=C3

Isomeric SMILES

CC1=CC=C(C=C1)SC(=O)CC2=COC3=C2C4=CC=CC=C4C=C3

InChI

InChI=1S/C21H16O2S/c1-14-6-9-17(10-7-14)24-20(22)12-16-13-23-19-11-8-15-4-2-3-5-18(15)21(16)19/h2-11,13H,12H2,1H3