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

Systemtic Name: ethyl 2-[(4-chlorophenyl)methylsulfanyl]-4-(dimethylaminomethyl)-5-oxidanyl-1-benzofuran-3-carboxylate Openeye Name: ethyl 2-[(4-chlorophenyl)methylsulfanyl]-4-(dimethylaminomethyl)-5-hydroxy-benzofuran-3-carboxylate CAS Name: 2-[(4-chlorophenyl)methylthio]-4-(dimethylaminomethyl)-5-hydroxy-3-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-chlorophenyl)methylsulfanyl]-4-(dimethylaminomethyl)-5-hydroxy-1-benzofuran-3-carboxylate Traditional Name: 2-[(4-chlorobenzyl)thio]-4-(dimethylaminomethyl)-5-hydroxy-benzofuran-3-carboxylic acid ethyl ester Formula: C21H22ClNO4S MolecularWeight: 419.92168

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C1C(=C(C=C2)O)CN(C)C)SCC3=CC=C(C=C3)Cl

Isomeric SMILES

CCOC(=O)C1=C(OC2=C1C(=C(C=C2)O)CN(C)C)SCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H22ClNO4S/c1-4-26-20(25)19-18-15(11-23(2)3)16(24)9-10-17(18)27-21(19)28-12-13-5-7-14(22)8-6-13/h5-10,24H,4,11-12H2,1-3H3