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

Systemtic Name: butyl 3-(2,2-dimethylpropanoyloxy)-5-oxidanyl-1-benzothiophene-2-carboxylate Openeye Name: butyl 3-(2,2-dimethylpropanoyloxy)-5-hydroxy-benzothiophene-2-carboxylate CAS Name: 3-(2,2-dimethyl-1-oxopropoxy)-5-hydroxy-1-benzothiophene-2-carboxylic acid butyl ester IUPAC Name: butyl 3-(2,2-dimethylpropanoyloxy)-5-hydroxy-1-benzothiophene-2-carboxylate Traditional Name: 5-hydroxy-3-pivaloyloxy-benzothiophene-2-carboxylic acid butyl ester Formula: C18H22O5S MolecularWeight: 350.42928

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22O5S/c1-5-6-9-22-16(20)15-14(23-17(21)18(2,3)4)12-10-11(19)7-8-13(12)24-15/h7-8,10,19H,5-6,9H2,1-4H3