1-[4-(dimethylaminomethyl)-5-oxidanyl-2-(phenylsulfanylmethyl)-1-benzofuran-3-yl]ethanone hydrochloride

Systemtic Name: 1-[4-(dimethylaminomethyl)-5-oxidanyl-2-(phenylsulfanylmethyl)-1-benzofuran-3-yl]ethanone hydrochloride Openeye Name: 1-[4-(dimethylaminomethyl)-5-hydroxy-2-(phenylsulfanylmethyl)benzofuran-3-yl]ethanone hydrochloride CAS Name: 1-[4-(dimethylaminomethyl)-5-hydroxy-2-[(phenylthio)methyl]-3-benzofuranyl]ethanone hydrochloride IUPAC Name: 1-[4-(dimethylaminomethyl)-5-hydroxy-2-(phenylsulfanylmethyl)-1-benzofuran-3-yl]ethanone hydrochloride Traditional Name: 1-[4-(dimethylaminomethyl)-5-hydroxy-2-[(phenylthio)methyl]benzofuran-3-yl]ethanone hydrochloride Formula: C20H22ClNO3S MolecularWeight: 391.91158

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21NO3S.ClH/c1-13(22)19-18(12-25-14-7-5-4-6-8-14)24-17-10-9-16(23)15(20(17)19)11-21(2)3;/h4-10,23H,11-12H2,1-3H3;1H