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

Systemtic Name: ethyl 4-(dimethylaminomethyl)-2-[(4-methylphenyl)sulfanylmethyl]-5-oxidanyl-1-benzofuran-3-carboxylate Openeye Name: ethyl 4-(dimethylaminomethyl)-5-hydroxy-2-(p-tolylsulfanylmethyl)benzofuran-3-carboxylate CAS Name: 4-(dimethylaminomethyl)-5-hydroxy-2-[[(4-methylphenyl)thio]methyl]-3-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 4-(dimethylaminomethyl)-5-hydroxy-2-[(4-methylphenyl)sulfanylmethyl]-1-benzofuran-3-carboxylate Traditional Name: 4-(dimethylaminomethyl)-5-hydroxy-2-[(p-tolylthio)methyl]benzofuran-3-carboxylic acid ethyl ester Formula: C22H25NO4S MolecularWeight: 399.5032

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C1C(=C(C=C2)O)CN(C)C)CSC3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)C1=C(OC2=C1C(=C(C=C2)O)CN(C)C)CSC3=CC=C(C=C3)C

InChI

InChI=1S/C22H25NO4S/c1-5-26-22(25)21-19(13-28-15-8-6-14(2)7-9-15)27-18-11-10-17(24)16(20(18)21)12-23(3)4/h6-11,24H,5,12-13H2,1-4H3