ethyl 5-tert-butyl-3-methyl-4-oxidanyl-7-thiophen-2-ylcarbonyl-1-benzofuran-2-carboxylate

Systemtic Name: ethyl 5-tert-butyl-3-methyl-4-oxidanyl-7-thiophen-2-ylcarbonyl-1-benzofuran-2-carboxylate Openeye Name: ethyl 5-tert-butyl-4-hydroxy-3-methyl-7-(thiophene-2-carbonyl)benzofuran-2-carboxylate CAS Name: 5-tert-butyl-4-hydroxy-3-methyl-7-[oxo(thiophen-2-yl)methyl]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-tert-butyl-4-hydroxy-3-methyl-7-(thiophene-2-carbonyl)-1-benzofuran-2-carboxylate Traditional Name: 5-tert-butyl-4-hydroxy-3-methyl-7-(2-thenoyl)coumarilic acid ethyl ester Formula: C21H22O5S MolecularWeight: 386.46138

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(O1)C(=CC(=C2O)C(C)(C)C)C(=O)C3=CC=CS3)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(O1)C(=CC(=C2O)C(C)(C)C)C(=O)C3=CC=CS3)C

InChI

InChI=1S/C21H22O5S/c1-6-25-20(24)18-11(2)15-17(23)13(21(3,4)5)10-12(19(15)26-18)16(22)14-8-7-9-27-14/h7-10,23H,6H2,1-5H3