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

Systemtic Name: (phenylmethyl) 4-butoxy-1,1-bis(oxidanylidene)-3-(phenylsulfonyl)-2,3-dihydro-1-benzothiophene-5-carboxylate Openeye Name: benzyl 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 (phenylmethyl) ester IUPAC Name: benzyl 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 benzyl ester Formula: C26H26O7S2 MolecularWeight: 514.61044

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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)OCC4=CC=CC=C4

Isomeric SMILES

CCCCOC1=C(C=CC2=C1C(CS2(=O)=O)S(=O)(=O)C3=CC=CC=C3)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C26H26O7S2/c1-2-3-16-32-25-21(26(27)33-17-19-10-6-4-7-11-19)14-15-22-24(25)23(18-34(22,28)29)35(30,31)20-12-8-5-9-13-20/h4-15,23H,2-3,16-18H2,1H3