(phenylmethyl) 4-hexoxy-1,1-bis(oxidanylidene)-3-(phenylsulfonyl)-2,3-dihydro-1-benzothiophene-5-carboxylate

Systemtic Name: (phenylmethyl) 4-hexoxy-1,1-bis(oxidanylidene)-3-(phenylsulfonyl)-2,3-dihydro-1-benzothiophene-5-carboxylate Openeye Name: benzyl 3-(benzenesulfonyl)-4-hexoxy-1,1-dioxo-2,3-dihydrobenzothiophene-5-carboxylate CAS Name: 3-(benzenesulfonyl)-4-hexoxy-1,1-dioxo-2,3-dihydro-1-benzothiophene-5-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3-(benzenesulfonyl)-4-hexoxy-1,1-dioxo-2,3-dihydro-1-benzothiophene-5-carboxylate Traditional Name: 3-besyl-4-hexoxy-1,1-diketo-2,3-dihydrobenzothiophene-5-carboxylic acid benzyl ester Formula: C28H30O7S2 MolecularWeight: 542.6636

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=CC2=C1C(CS2(=O)=O)S(=O)(=O)C3=CC=CC=C3)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CCCCCCOC1=C(C=CC2=C1C(CS2(=O)=O)S(=O)(=O)C3=CC=CC=C3)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C28H30O7S2/c1-2-3-4-11-18-34-27-23(28(29)35-19-21-12-7-5-8-13-21)16-17-24-26(27)25(20-36(24,30)31)37(32,33)22-14-9-6-10-15-22/h5-10,12-17,25H,2-4,11,18-20H2,1H3