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

Systemtic Name: (phenylmethyl) 4-ethoxy-1,1-bis(oxidanylidene)-3-(phenylsulfonyl)-2,3-dihydro-1-benzothiophene-5-carboxylate Openeye Name: benzyl 3-(benzenesulfonyl)-4-ethoxy-1,1-dioxo-2,3-dihydrobenzothiophene-5-carboxylate CAS Name: 3-(benzenesulfonyl)-4-ethoxy-1,1-dioxo-2,3-dihydro-1-benzothiophene-5-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3-(benzenesulfonyl)-4-ethoxy-1,1-dioxo-2,3-dihydro-1-benzothiophene-5-carboxylate Traditional Name: 3-besyl-4-ethoxy-1,1-diketo-2,3-dihydrobenzothiophene-5-carboxylic acid benzyl ester Formula: C24H22O7S2 MolecularWeight: 486.55728

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC2=C1C(CS2(=O)=O)S(=O)(=O)C3=CC=CC=C3)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CCOC1=C(C=CC2=C1C(CS2(=O)=O)S(=O)(=O)C3=CC=CC=C3)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C24H22O7S2/c1-2-30-23-19(24(25)31-15-17-9-5-3-6-10-17)13-14-20-22(23)21(16-32(20,26)27)33(28,29)18-11-7-4-8-12-18/h3-14,21H,2,15-16H2,1H3