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

Systemtic Name: S-(4-chlorophenyl) 2-benzo[e][1]benzofuran-1-ylethanethioate Openeye Name: S-(4-chlorophenyl) 2-benzo[e]benzofuran-1-ylethanethioate CAS Name: 2-(1-benzo[e]benzofuranyl)ethanethioic acid S-(4-chlorophenyl) ester IUPAC Name: S-(4-chlorophenyl) 2-benzo[e][1]benzofuran-1-ylethanethioate Traditional Name: 2-benzo[e]benzofuran-1-ylethanethioic acid S-(4-chlorophenyl) ester Formula: C20H13ClO2S MolecularWeight: 352.83402

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC3=C2C(=CO3)CC(=O)SC4=CC=C(C=C4)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C=CC3=C2C(=CO3)CC(=O)SC4=CC=C(C=C4)Cl

InChI

InChI=1S/C20H13ClO2S/c21-15-6-8-16(9-7-15)24-19(22)11-14-12-23-18-10-5-13-3-1-2-4-17(13)20(14)18/h1-10,12H,11H2