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

Systemtic Name: 3-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]sulfamoyl]-4,5-dimethyl-benzoic acid Openeye Name: 3-[[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]sulfamoyl]-4,5-dimethyl-benzoic acid CAS Name: 3-[[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]sulfamoyl]-4,5-dimethylbenzoic acid IUPAC Name: 3-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]sulfamoyl]-4,5-dimethylbenzoic acid Traditional Name: 3-[[(2S)-5-ethoxy-2-methyl-coumaran-6-yl]sulfamoyl]-4,5-dimethyl-benzoic acid Formula: C20H23NO6S MolecularWeight: 405.46472

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(=CC(=C3C)C)C(=O)O

Isomeric SMILES

CCOC1=C(C=C2C(=C1)C[C@@H](O2)C)NS(=O)(=O)C3=CC(=CC(=C3C)C)C(=O)O

InChI

InChI=1S/C20H23NO6S/c1-5-26-18-8-14-7-12(3)27-17(14)10-16(18)21-28(24,25)19-9-15(20(22)23)6-11(2)13(19)4/h6,8-10,12,21H,5,7H2,1-4H3,(H,22,23)/t12-/m0/s1