ethyl 4-(diethylaminomethyl)-2-(diethylaminomethylsulfanylmethyl)-5-oxidanyl-1-benzofuran-3-carboxylate

Systemtic Name: ethyl 4-(diethylaminomethyl)-2-(diethylaminomethylsulfanylmethyl)-5-oxidanyl-1-benzofuran-3-carboxylate Openeye Name: ethyl 4-(diethylaminomethyl)-2-(diethylaminomethylsulfanylmethyl)-5-hydroxy-benzofuran-3-carboxylate CAS Name: 4-(diethylaminomethyl)-2-[(diethylaminomethylthio)methyl]-5-hydroxy-3-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 4-(diethylaminomethyl)-2-(diethylaminomethylsulfanylmethyl)-5-hydroxy-1-benzofuran-3-carboxylate Traditional Name: 4-(diethylaminomethyl)-2-[(diethylaminomethylthio)methyl]-5-hydroxy-benzofuran-3-carboxylic acid ethyl ester Formula: C22H34N2O4S MolecularWeight: 422.58136

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC1=C(C=CC2=C1C(=C(O2)CSCN(CC)CC)C(=O)OCC)O

Isomeric SMILES

CCN(CC)CC1=C(C=CC2=C1C(=C(O2)CSCN(CC)CC)C(=O)OCC)O

InChI

InChI=1S/C22H34N2O4S/c1-6-23(7-2)13-16-17(25)11-12-18-20(16)21(22(26)27-10-5)19(28-18)14-29-15-24(8-3)9-4/h11-12,25H,6-10,13-15H2,1-5H3