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

Systemtic Name: ethyl 4-(dimethylaminomethyl)-5-oxidanyl-2-(phenylsulfanylmethyl)-1-benzofuran-3-carboxylate hydrochloride Openeye Name: ethyl 4-(dimethylaminomethyl)-5-hydroxy-2-(phenylsulfanylmethyl)benzofuran-3-carboxylate hydrochloride CAS Name: 4-(dimethylaminomethyl)-5-hydroxy-2-[(phenylthio)methyl]-3-benzofurancarboxylic acid ethyl ester hydrochloride IUPAC Name: ethyl 4-(dimethylaminomethyl)-5-hydroxy-2-(phenylsulfanylmethyl)-1-benzofuran-3-carboxylate hydrochloride Traditional Name: 4-(dimethylaminomethyl)-5-hydroxy-2-[(phenylthio)methyl]benzofuran-3-carboxylic acid ethyl ester hydrochloride Formula: C21H24ClNO4S MolecularWeight: 421.93756

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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=CC=C3.Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H23NO4S.ClH/c1-4-25-21(24)20-18(13-27-14-8-6-5-7-9-14)26-17-11-10-16(23)15(19(17)20)12-22(2)3;/h5-11,23H,4,12-13H2,1-3H3;1H