ethyl 2-[(3,5-ditert-butyl-4-oxidanyl-phenyl)sulfanylmethyl]-4-(dimethylaminomethyl)-5-oxidanyl-1-benzofuran-3-carboxylate hydrochloride

Systemtic Name: ethyl 2-[(3,5-ditert-butyl-4-oxidanyl-phenyl)sulfanylmethyl]-4-(dimethylaminomethyl)-5-oxidanyl-1-benzofuran-3-carboxylate hydrochloride Openeye Name: ethyl 2-[(3,5-ditert-butyl-4-hydroxy-phenyl)sulfanylmethyl]-4-(dimethylaminomethyl)-5-hydroxy-benzofuran-3-carboxylate hydrochloride CAS Name: 2-[[(3,5-ditert-butyl-4-hydroxyphenyl)thio]methyl]-4-(dimethylaminomethyl)-5-hydroxy-3-benzofurancarboxylic acid ethyl ester hydrochloride IUPAC Name: ethyl 2-[(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylmethyl]-4-(dimethylaminomethyl)-5-hydroxy-1-benzofuran-3-carboxylate hydrochloride Traditional Name: 2-[[(3,5-ditert-butyl-4-hydroxy-phenyl)thio]methyl]-4-(dimethylaminomethyl)-5-hydroxy-benzofuran-3-carboxylic acid ethyl ester hydrochloride Formula: C29H40ClNO5S MolecularWeight: 550.1496

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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(C)(C)C)O)C(C)(C)C.Cl

Isomeric SMILES

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

InChI

InChI=1S/C29H39NO5S.ClH/c1-10-34-27(33)25-23(35-22-12-11-21(31)18(24(22)25)15-30(8)9)16-36-17-13-19(28(2,3)4)26(32)20(14-17)29(5,6)7;/h11-14,31-32H,10,15-16H2,1-9H3;1H