ethyl 4-(dimethylaminomethyl)-2-[(4-ethoxyphenyl)methylsulfanyl]-5-oxidanyl-1-benzofuran-3-carboxylate

Systemtic Name: ethyl 4-(dimethylaminomethyl)-2-[(4-ethoxyphenyl)methylsulfanyl]-5-oxidanyl-1-benzofuran-3-carboxylate Openeye Name: ethyl 4-(dimethylaminomethyl)-2-[(4-ethoxyphenyl)methylsulfanyl]-5-hydroxy-benzofuran-3-carboxylate CAS Name: 4-(dimethylaminomethyl)-2-[(4-ethoxyphenyl)methylthio]-5-hydroxy-3-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 4-(dimethylaminomethyl)-2-[(4-ethoxyphenyl)methylsulfanyl]-5-hydroxy-1-benzofuran-3-carboxylate Traditional Name: 4-(dimethylaminomethyl)-2-[(4-ethoxybenzyl)thio]-5-hydroxy-benzofuran-3-carboxylic acid ethyl ester Formula: C23H27NO5S MolecularWeight: 429.52918

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CSC2=C(C3=C(O2)C=CC(=C3CN(C)C)O)C(=O)OCC

Isomeric SMILES

CCOC1=CC=C(C=C1)CSC2=C(C3=C(O2)C=CC(=C3CN(C)C)O)C(=O)OCC

InChI

InChI=1S/C23H27NO5S/c1-5-27-16-9-7-15(8-10-16)14-30-23-21(22(26)28-6-2)20-17(13-24(3)4)18(25)11-12-19(20)29-23/h7-12,25H,5-6,13-14H2,1-4H3