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

Systemtic Name: methyl 4-octoxy-1,1-bis(oxidanylidene)-3-(phenylsulfonyl)-2,3-dihydro-1-benzothiophene-5-carboxylate Openeye Name: methyl 3-(benzenesulfonyl)-4-octoxy-1,1-dioxo-2,3-dihydrobenzothiophene-5-carboxylate CAS Name: 3-(benzenesulfonyl)-4-octoxy-1,1-dioxo-2,3-dihydro-1-benzothiophene-5-carboxylic acid methyl ester IUPAC Name: methyl 3-(benzenesulfonyl)-4-octoxy-1,1-dioxo-2,3-dihydro-1-benzothiophene-5-carboxylate Traditional Name: 3-besyl-1,1-diketo-4-octoxy-2,3-dihydrobenzothiophene-5-carboxylic acid methyl ester Formula: C24H30O7S2 MolecularWeight: 494.6208

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=CC2=C1C(CS2(=O)=O)S(=O)(=O)C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CCCCCCCCOC1=C(C=CC2=C1C(CS2(=O)=O)S(=O)(=O)C3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C24H30O7S2/c1-3-4-5-6-7-11-16-31-23-19(24(25)30-2)14-15-20-22(23)21(17-32(20,26)27)33(28,29)18-12-9-8-10-13-18/h8-10,12-15,21H,3-7,11,16-17H2,1-2H3