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

Systemtic Name: (phenylmethyl) 4-butoxy-1,1-bis(oxidanylidene)-1-benzothiophene-5-carboxylate Openeye Name: benzyl 4-butoxy-1,1-dioxo-benzothiophene-5-carboxylate CAS Name: 4-butoxy-1,1-dioxo-1-benzothiophene-5-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-butoxy-1,1-dioxo-1-benzothiophene-5-carboxylate Traditional Name: 4-butoxy-1,1-diketo-benzothiophene-5-carboxylic acid benzyl ester Formula: C20H20O5S MolecularWeight: 372.4348

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=CC2=C1C=CS2(=O)=O)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CCCCOC1=C(C=CC2=C1C=CS2(=O)=O)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C20H20O5S/c1-2-3-12-24-19-16-11-13-26(22,23)18(16)10-9-17(19)20(21)25-14-15-7-5-4-6-8-15/h4-11,13H,2-3,12,14H2,1H3