ethyl 6-ethylsulfonyl-3-methyl-4,7-bis(oxidanylidene)-5-propyl-1-benzofuran-2-carboxylate

Systemtic Name: ethyl 6-ethylsulfonyl-3-methyl-4,7-bis(oxidanylidene)-5-propyl-1-benzofuran-2-carboxylate Openeye Name: ethyl 6-ethylsulfonyl-3-methyl-4,7-dioxo-5-propyl-benzofuran-2-carboxylate CAS Name: 6-ethylsulfonyl-3-methyl-4,7-dioxo-5-propyl-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 6-ethylsulfonyl-3-methyl-4,7-dioxo-5-propyl-1-benzofuran-2-carboxylate Traditional Name: 6-esyl-4,7-diketo-3-methyl-5-propyl-coumarilic acid ethyl ester Formula: C17H20O7S MolecularWeight: 368.4015

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=O)C2=C(C1=O)C(=C(O2)C(=O)OCC)C)S(=O)(=O)CC

Isomeric SMILES

CCCC1=C(C(=O)C2=C(C1=O)C(=C(O2)C(=O)OCC)C)S(=O)(=O)CC

InChI

InChI=1S/C17H20O7S/c1-5-8-10-12(18)11-9(4)14(17(20)23-6-2)24-15(11)13(19)16(10)25(21,22)7-3/h5-8H2,1-4H3