tert-butyl 4-methoxy-1,1-bis(oxidanylidene)-3-(phenylsulfonyl)-2,3-dihydro-1-benzothiophene-5-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=C(C2=C(C=C1)S(=O)(=O)CC2S(=O)(=O)C3=CC=CC=C3)OC

Isomeric SMILES

CC(C)(C)OC(=O)C1=C(C2=C(C=C1)S(=O)(=O)CC2S(=O)(=O)C3=CC=CC=C3)OC

InChI

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