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

Systemtic Name: methyl 4-hexoxy-1,1-bis(oxidanylidene)-3-(phenylsulfonyl)-2,3-dihydro-1-benzothiophene-5-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C22H26O7S2 MolecularWeight: 466.56764

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26O7S2/c1-3-4-5-9-14-29-21-17(22(23)28-2)12-13-18-20(21)19(15-30(18,24)25)31(26,27)16-10-7-6-8-11-16/h6-8,10-13,19H,3-5,9,14-15H2,1-2H3