(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl 2-methyl-5-methylsulfonyl-benzoate

Systemtic Name: (5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl 2-methyl-5-methylsulfonyl-benzoate Openeye Name: (5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl)methyl 2-methyl-5-methylsulfonyl-benzoate CAS Name: 2-methyl-5-methylsulfonylbenzoic acid (5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl)methyl ester IUPAC Name: (5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl 2-methyl-5-methylsulfonylbenzoate Traditional Name: 5-mesyl-2-methyl-benzoic acid (5-ethoxy-2-methyl-coumaran-6-yl)methyl ester Formula: C21H24O6S MolecularWeight: 404.47666

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)CC(O2)C)COC(=O)C3=C(C=CC(=C3)S(=O)(=O)C)C

Isomeric SMILES

CCOC1=C(C=C2C(=C1)CC(O2)C)COC(=O)C3=C(C=CC(=C3)S(=O)(=O)C)C

InChI

InChI=1S/C21H24O6S/c1-5-25-19-9-15-8-14(3)27-20(15)10-16(19)12-26-21(22)18-11-17(28(4,23)24)7-6-13(18)2/h6-7,9-11,14H,5,8,12H2,1-4H3