(phenylmethyl) 4-hexoxy-1,1-bis(oxidanylidene)-1-benzothiophene-5-carboxylate

Systemtic Name: (phenylmethyl) 4-hexoxy-1,1-bis(oxidanylidene)-1-benzothiophene-5-carboxylate Openeye Name: benzyl 4-hexoxy-1,1-dioxo-benzothiophene-5-carboxylate CAS Name: 4-hexoxy-1,1-dioxo-1-benzothiophene-5-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-hexoxy-1,1-dioxo-1-benzothiophene-5-carboxylate Traditional Name: 4-hexoxy-1,1-diketo-benzothiophene-5-carboxylic acid benzyl ester Formula: C22H24O5S MolecularWeight: 400.48796

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=CC2=C1C=CS2(=O)=O)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CCCCCCOC1=C(C=CC2=C1C=CS2(=O)=O)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C22H24O5S/c1-2-3-4-8-14-26-21-18-13-15-28(24,25)20(18)12-11-19(21)22(23)27-16-17-9-6-5-7-10-17/h5-7,9-13,15H,2-4,8,14,16H2,1H3