ethyl 6-bromanyl-4-(dimethylaminomethyl)-5-oxidanyl-2-(phenylsulfanylmethyl)-1-benzofuran-3-carboxylate hydrochloride

Systemtic Name: ethyl 6-bromanyl-4-(dimethylaminomethyl)-5-oxidanyl-2-(phenylsulfanylmethyl)-1-benzofuran-3-carboxylate hydrochloride Openeye Name: ethyl 6-bromo-4-(dimethylaminomethyl)-5-hydroxy-2-(phenylsulfanylmethyl)benzofuran-3-carboxylate hydrochloride CAS Name: 6-bromo-4-(dimethylaminomethyl)-5-hydroxy-2-[(phenylthio)methyl]-3-benzofurancarboxylic acid ethyl ester hydrochloride IUPAC Name: ethyl 6-bromo-4-(dimethylaminomethyl)-5-hydroxy-2-(phenylsulfanylmethyl)-1-benzofuran-3-carboxylate hydrochloride Traditional Name: 6-bromo-4-(dimethylaminomethyl)-5-hydroxy-2-[(phenylthio)methyl]benzofuran-3-carboxylic acid ethyl ester hydrochloride Formula: C21H23BrClNO4S MolecularWeight: 500.83362

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=CC(=C(C(=C21)CN(C)C)O)Br)CSC3=CC=CC=C3.Cl

Isomeric SMILES

CCOC(=O)C1=C(OC2=CC(=C(C(=C21)CN(C)C)O)Br)CSC3=CC=CC=C3.Cl

InChI

InChI=1S/C21H22BrNO4S.ClH/c1-4-26-21(25)19-17(12-28-13-8-6-5-7-9-13)27-16-10-15(22)20(24)14(18(16)19)11-23(2)3;/h5-10,24H,4,11-12H2,1-3H3;1H