(phenylmethyl) 1,1-bis(oxidanylidene)-3-(phenylsulfonyl)-2,3-dihydro-1-benzothiophene-5-carboxylate

Systemtic Name: (phenylmethyl) 1,1-bis(oxidanylidene)-3-(phenylsulfonyl)-2,3-dihydro-1-benzothiophene-5-carboxylate Openeye Name: benzyl 3-(benzenesulfonyl)-1,1-dioxo-2,3-dihydrobenzothiophene-5-carboxylate CAS Name: 3-(benzenesulfonyl)-1,1-dioxo-2,3-dihydro-1-benzothiophene-5-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3-(benzenesulfonyl)-1,1-dioxo-2,3-dihydro-1-benzothiophene-5-carboxylate Traditional Name: 3-besyl-1,1-diketo-2,3-dihydrobenzothiophene-5-carboxylic acid benzyl ester Formula: C22H18O6S2 MolecularWeight: 442.50472

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C2=C(S1(=O)=O)C=CC(=C2)C(=O)OCC3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1C(C2=C(S1(=O)=O)C=CC(=C2)C(=O)OCC3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H18O6S2/c23-22(28-14-16-7-3-1-4-8-16)17-11-12-20-19(13-17)21(15-29(20,24)25)30(26,27)18-9-5-2-6-10-18/h1-13,21H,14-15H2