butyl 3-(2,2-dimethylpropanoyloxy)-5-(2-ethoxy-2-oxidanylidene-ethoxy)-1-benzothiophene-2-carboxylate

Systemtic Name: butyl 3-(2,2-dimethylpropanoyloxy)-5-(2-ethoxy-2-oxidanylidene-ethoxy)-1-benzothiophene-2-carboxylate Openeye Name: butyl 3-(2,2-dimethylpropanoyloxy)-5-(2-ethoxy-2-oxo-ethoxy)benzothiophene-2-carboxylate CAS Name: 3-(2,2-dimethyl-1-oxopropoxy)-5-(2-ethoxy-2-oxoethoxy)-1-benzothiophene-2-carboxylic acid butyl ester IUPAC Name: butyl 3-(2,2-dimethylpropanoyloxy)-5-(2-ethoxy-2-oxoethoxy)-1-benzothiophene-2-carboxylate Traditional Name: 5-(2-ethoxy-2-keto-ethoxy)-3-pivaloyloxy-benzothiophene-2-carboxylic acid butyl ester Formula: C22H28O7S MolecularWeight: 436.51852

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=C(C2=C(S1)C=CC(=C2)OCC(=O)OCC)OC(=O)C(C)(C)C

Isomeric SMILES

CCCCOC(=O)C1=C(C2=C(S1)C=CC(=C2)OCC(=O)OCC)OC(=O)C(C)(C)C

InChI

InChI=1S/C22H28O7S/c1-6-8-11-27-20(24)19-18(29-21(25)22(3,4)5)15-12-14(9-10-16(15)30-19)28-13-17(23)26-7-2/h9-10,12H,6-8,11,13H2,1-5H3