[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl 4-(dimethylsulfamoyl)benzoate

Systemtic Name: [(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl 4-(dimethylsulfamoyl)benzoate Openeye Name: [(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]methyl 4-(dimethylsulfamoyl)benzoate CAS Name: 4-(dimethylsulfamoyl)benzoic acid [(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]methyl ester IUPAC Name: [(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl 4-(dimethylsulfamoyl)benzoate Traditional Name: 4-(dimethylsulfamoyl)benzoic acid [(2S)-5-ethoxy-2-methyl-coumaran-6-yl]methyl ester Formula: C21H25NO6S MolecularWeight: 419.4913

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC1=C(C=C2C(=C1)C[C@@H](O2)C)COC(=O)C3=CC=C(C=C3)S(=O)(=O)N(C)C

InChI

InChI=1S/C21H25NO6S/c1-5-26-19-11-16-10-14(2)28-20(16)12-17(19)13-27-21(23)15-6-8-18(9-7-15)29(24,25)22(3)4/h6-9,11-12,14H,5,10,13H2,1-4H3/t14-/m0/s1