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

Systemtic Name: methyl 4-butoxy-1,1-bis(oxidanylidene)-3-(phenylsulfonyl)-2,3-dihydro-1-benzothiophene-5-carboxylate Openeye Name: methyl 3-(benzenesulfonyl)-4-butoxy-1,1-dioxo-2,3-dihydrobenzothiophene-5-carboxylate CAS Name: 3-(benzenesulfonyl)-4-butoxy-1,1-dioxo-2,3-dihydro-1-benzothiophene-5-carboxylic acid methyl ester IUPAC Name: methyl 3-(benzenesulfonyl)-4-butoxy-1,1-dioxo-2,3-dihydro-1-benzothiophene-5-carboxylate Traditional Name: 3-besyl-4-butoxy-1,1-diketo-2,3-dihydrobenzothiophene-5-carboxylic acid methyl ester Formula: C20H22O7S2 MolecularWeight: 438.51448

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=CC2=C1C(CS2(=O)=O)S(=O)(=O)C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CCCCOC1=C(C=CC2=C1C(CS2(=O)=O)S(=O)(=O)C3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C20H22O7S2/c1-3-4-12-27-19-15(20(21)26-2)10-11-16-18(19)17(13-28(16,22)23)29(24,25)14-8-6-5-7-9-14/h5-11,17H,3-4,12-13H2,1-2H3