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

Systemtic Name: butyl 3-(2,2-dimethylpropanoyloxy)-5-(methoxymethoxy)-1-benzothiophene-2-carboxylate Openeye Name: butyl 3-(2,2-dimethylpropanoyloxy)-5-(methoxymethoxy)benzothiophene-2-carboxylate CAS Name: 3-(2,2-dimethyl-1-oxopropoxy)-5-(methoxymethoxy)-1-benzothiophene-2-carboxylic acid butyl ester IUPAC Name: butyl 3-(2,2-dimethylpropanoyloxy)-5-(methoxymethoxy)-1-benzothiophene-2-carboxylate Traditional Name: 5-(methoxymethoxy)-3-pivaloyloxy-benzothiophene-2-carboxylic acid butyl ester Formula: C20H26O6S MolecularWeight: 394.48184

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26O6S/c1-6-7-10-24-18(21)17-16(26-19(22)20(2,3)4)14-11-13(25-12-23-5)8-9-15(14)27-17/h8-9,11H,6-7,10,12H2,1-5H3