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

Systemtic Name: (phenylmethyl) 4-octoxy-1,1-bis(oxidanylidene)-3-(phenylsulfonyl)-2,3-dihydro-1-benzothiophene-5-carboxylate Openeye Name: benzyl 3-(benzenesulfonyl)-4-octoxy-1,1-dioxo-2,3-dihydrobenzothiophene-5-carboxylate CAS Name: 3-(benzenesulfonyl)-4-octoxy-1,1-dioxo-2,3-dihydro-1-benzothiophene-5-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3-(benzenesulfonyl)-4-octoxy-1,1-dioxo-2,3-dihydro-1-benzothiophene-5-carboxylate Traditional Name: 3-besyl-1,1-diketo-4-octoxy-2,3-dihydrobenzothiophene-5-carboxylic acid benzyl ester Formula: C30H34O7S2 MolecularWeight: 570.71676

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=CC2=C1C(CS2(=O)=O)S(=O)(=O)C3=CC=CC=C3)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CCCCCCCCOC1=C(C=CC2=C1C(CS2(=O)=O)S(=O)(=O)C3=CC=CC=C3)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C30H34O7S2/c1-2-3-4-5-6-13-20-36-29-25(30(31)37-21-23-14-9-7-10-15-23)18-19-26-28(29)27(22-38(26,32)33)39(34,35)24-16-11-8-12-17-24/h7-12,14-19,27H,2-6,13,20-22H2,1H3