[4-(1,3-dithiolan-2-yl)phenyl] 5-(phenylsulfonylmethyl)furan-2-carboxylate

Systemtic Name: [4-(1,3-dithiolan-2-yl)phenyl] 5-(phenylsulfonylmethyl)furan-2-carboxylate Openeye Name: [4-(1,3-dithiolan-2-yl)phenyl] 5-(benzenesulfonylmethyl)furan-2-carboxylate CAS Name: 5-(benzenesulfonylmethyl)-2-furancarboxylic acid [4-(1,3-dithiolan-2-yl)phenyl] ester IUPAC Name: [4-(1,3-dithiolan-2-yl)phenyl] 5-(benzenesulfonylmethyl)furan-2-carboxylate Traditional Name: 5-(besylmethyl)furan-2-carboxylic acid [4-(1,3-dithiolan-2-yl)phenyl] ester Formula: C21H18O5S3 MolecularWeight: 446.55962

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CSC(S1)C2=CC=C(C=C2)OC(=O)C3=CC=C(O3)CS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CSC(S1)C2=CC=C(C=C2)OC(=O)C3=CC=C(O3)CS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H18O5S3/c22-20(26-16-8-6-15(7-9-16)21-27-12-13-28-21)19-11-10-17(25-19)14-29(23,24)18-4-2-1-3-5-18/h1-11,21H,12-14H2