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

Systemtic Name: 3-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]sulfamoyl]benzoate Openeye Name: 3-[[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]sulfamoyl]benzoate CAS Name: 3-[[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]sulfamoyl]benzoate IUPAC Name: 3-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]sulfamoyl]benzoate Traditional Name: 3-[[(2S)-5-ethoxy-2-methyl-coumaran-6-yl]sulfamoyl]benzoate Formula: C18H18NO6S- MolecularWeight: 376.40362

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)CC(O2)C)NS(=O)(=O)C3=CC=CC(=C3)C(=O)[O-]

Isomeric SMILES

CCOC1=C(C=C2C(=C1)C[C@@H](O2)C)NS(=O)(=O)C3=CC=CC(=C3)C(=O)[O-]

InChI

InChI=1S/C18H19NO6S/c1-3-24-17-9-13-7-11(2)25-16(13)10-15(17)19-26(22,23)14-6-4-5-12(8-14)18(20)21/h4-6,8-11,19H,3,7H2,1-2H3,(H,20,21)/p-1/t11-/m0/s1