4-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]sulfamoyl]benzoic acid

Systemtic Name: 4-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]sulfamoyl]benzoic acid Openeye Name: 4-[[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]sulfamoyl]benzoic acid CAS Name: 4-[[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]sulfamoyl]benzoic acid IUPAC Name: 4-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]sulfamoyl]benzoic acid Traditional Name: 4-[[(2S)-5-ethoxy-2-methyl-coumaran-6-yl]sulfamoyl]benzoic acid Formula: C18H19NO6S MolecularWeight: 377.41156

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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