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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)CC(O2)C)CNS(=O)(=O)C3=CC=C(C=C3)C(=O)OCC

Isomeric SMILES

CCOC1=C(C=C2C(=C1)C[C@@H](O2)C)CNS(=O)(=O)C3=CC=C(C=C3)C(=O)OCC

InChI

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