1-[4-(dimethylaminomethyl)-2-[(4-ethoxyphenyl)sulfanylmethyl]-5-oxidanyl-1-benzofuran-3-yl]propan-1-one

Systemtic Name: 1-[4-(dimethylaminomethyl)-2-[(4-ethoxyphenyl)sulfanylmethyl]-5-oxidanyl-1-benzofuran-3-yl]propan-1-one Openeye Name: 1-[4-(dimethylaminomethyl)-2-[(4-ethoxyphenyl)sulfanylmethyl]-5-hydroxy-benzofuran-3-yl]propan-1-one CAS Name: 1-[4-(dimethylaminomethyl)-2-[[(4-ethoxyphenyl)thio]methyl]-5-hydroxy-3-benzofuranyl]-1-propanone IUPAC Name: 1-[4-(dimethylaminomethyl)-2-[(4-ethoxyphenyl)sulfanylmethyl]-5-hydroxy-1-benzofuran-3-yl]propan-1-one Traditional Name: 1-[4-(dimethylaminomethyl)-5-hydroxy-2-[(p-phenetylthio)methyl]benzofuran-3-yl]propan-1-one Formula: C23H27NO4S MolecularWeight: 413.52978

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=C(OC2=C1C(=C(C=C2)O)CN(C)C)CSC3=CC=C(C=C3)OCC

Isomeric SMILES

CCC(=O)C1=C(OC2=C1C(=C(C=C2)O)CN(C)C)CSC3=CC=C(C=C3)OCC

InChI

InChI=1S/C23H27NO4S/c1-5-18(25)23-21(14-29-16-9-7-15(8-10-16)27-6-2)28-20-12-11-19(26)17(22(20)23)13-24(3)4/h7-12,26H,5-6,13-14H2,1-4H3