ethyl 4-(dimethylaminomethyl)-2-[(4-ethylphenyl)sulfanylmethyl]-5-oxidanyl-1-benzofuran-3-carboxylate

Systemtic Name: ethyl 4-(dimethylaminomethyl)-2-[(4-ethylphenyl)sulfanylmethyl]-5-oxidanyl-1-benzofuran-3-carboxylate Openeye Name: ethyl 4-(dimethylaminomethyl)-2-[(4-ethylphenyl)sulfanylmethyl]-5-hydroxy-benzofuran-3-carboxylate CAS Name: 4-(dimethylaminomethyl)-2-[[(4-ethylphenyl)thio]methyl]-5-hydroxy-3-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 4-(dimethylaminomethyl)-2-[(4-ethylphenyl)sulfanylmethyl]-5-hydroxy-1-benzofuran-3-carboxylate Traditional Name: 4-(dimethylaminomethyl)-2-[[(4-ethylphenyl)thio]methyl]-5-hydroxy-benzofuran-3-carboxylic acid ethyl ester Formula: C23H27NO4S MolecularWeight: 413.52978

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)SCC2=C(C3=C(O2)C=CC(=C3CN(C)C)O)C(=O)OCC

Isomeric SMILES

CCC1=CC=C(C=C1)SCC2=C(C3=C(O2)C=CC(=C3CN(C)C)O)C(=O)OCC

InChI

InChI=1S/C23H27NO4S/c1-5-15-7-9-16(10-8-15)29-14-20-22(23(26)27-6-2)21-17(13-24(3)4)18(25)11-12-19(21)28-20/h7-12,25H,5-6,13-14H2,1-4H3