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

Systemtic Name: methyl 4-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]sulfamoyl]benzoate Openeye Name: methyl 4-[[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]sulfamoyl]benzoate CAS Name: 4-[[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]sulfamoyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]sulfamoyl]benzoate Traditional Name: 4-[[(2S)-5-ethoxy-2-methyl-coumaran-6-yl]sulfamoyl]benzoic acid methyl ester Formula: C19H21NO6S MolecularWeight: 391.43814

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21NO6S/c1-4-25-18-10-14-9-12(2)26-17(14)11-16(18)20-27(22,23)15-7-5-13(6-8-15)19(21)24-3/h5-8,10-12,20H,4,9H2,1-3H3/t12-/m0/s1