ethyl 6-(dimethylaminomethyl)-2-methyl-5-oxidanyl-4-(phenylsulfonyl)-1-benzofuran-3-carboxylate

Systemtic Name: ethyl 6-(dimethylaminomethyl)-2-methyl-5-oxidanyl-4-(phenylsulfonyl)-1-benzofuran-3-carboxylate Openeye Name: ethyl 4-(benzenesulfonyl)-6-(dimethylaminomethyl)-5-hydroxy-2-methyl-benzofuran-3-carboxylate CAS Name: 4-(benzenesulfonyl)-6-(dimethylaminomethyl)-5-hydroxy-2-methyl-3-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 4-(benzenesulfonyl)-6-(dimethylaminomethyl)-5-hydroxy-2-methyl-1-benzofuran-3-carboxylate Traditional Name: 4-besyl-6-(dimethylaminomethyl)-5-hydroxy-2-methyl-benzofuran-3-carboxylic acid ethyl ester Formula: C21H23NO6S MolecularWeight: 417.47542

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C1C(=C(C(=C2)CN(C)C)O)S(=O)(=O)C3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(OC2=C1C(=C(C(=C2)CN(C)C)O)S(=O)(=O)C3=CC=CC=C3)C

InChI

InChI=1S/C21H23NO6S/c1-5-27-21(24)17-13(2)28-16-11-14(12-22(3)4)19(23)20(18(16)17)29(25,26)15-9-7-6-8-10-15/h6-11,23H,5,12H2,1-4H3