4-ethoxy-1,1-bis(oxidanylidene)-3-(phenylsulfonyl)-2,3-dihydro-1-benzothiophene-5-carboxylic acid

Systemtic Name: 4-ethoxy-1,1-bis(oxidanylidene)-3-(phenylsulfonyl)-2,3-dihydro-1-benzothiophene-5-carboxylic acid Openeye Name: 3-(benzenesulfonyl)-4-ethoxy-1,1-dioxo-2,3-dihydrobenzothiophene-5-carboxylic acid CAS Name: 3-(benzenesulfonyl)-4-ethoxy-1,1-dioxo-2,3-dihydro-1-benzothiophene-5-carboxylic acid IUPAC Name: 3-(benzenesulfonyl)-4-ethoxy-1,1-dioxo-2,3-dihydro-1-benzothiophene-5-carboxylic acid Traditional Name: 3-besyl-4-ethoxy-1,1-diketo-2,3-dihydrobenzothiophene-5-carboxylic acid Formula: C17H16O7S2 MolecularWeight: 396.43474

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C17H16O7S2/c1-2-24-16-12(17(18)19)8-9-13-15(16)14(10-25(13,20)21)26(22,23)11-6-4-3-5-7-11/h3-9,14H,2,10H2,1H3,(H,18,19)