ethyl 4-(dimethylaminomethyl)-2-(4-methylphenyl)sulfanyl-5-oxidanyl-1-benzofuran-3-carboxylate

Systemtic Name: ethyl 4-(dimethylaminomethyl)-2-(4-methylphenyl)sulfanyl-5-oxidanyl-1-benzofuran-3-carboxylate Openeye Name: ethyl 4-(dimethylaminomethyl)-5-hydroxy-2-(p-tolylsulfanyl)benzofuran-3-carboxylate CAS Name: 4-(dimethylaminomethyl)-5-hydroxy-2-[(4-methylphenyl)thio]-3-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 4-(dimethylaminomethyl)-5-hydroxy-2-(4-methylphenyl)sulfanyl-1-benzofuran-3-carboxylate Traditional Name: 4-(dimethylaminomethyl)-5-hydroxy-2-(p-tolylthio)benzofuran-3-carboxylic acid ethyl ester Formula: C21H23NO4S MolecularWeight: 385.47662

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C1C(=C(C=C2)O)CN(C)C)SC3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)C1=C(OC2=C1C(=C(C=C2)O)CN(C)C)SC3=CC=C(C=C3)C

InChI

InChI=1S/C21H23NO4S/c1-5-25-20(24)19-18-15(12-22(3)4)16(23)10-11-17(18)26-21(19)27-14-8-6-13(2)7-9-14/h6-11,23H,5,12H2,1-4H3