2-[4-[[2-(4-hydroxyphenyl)-6-oxidanyl-1-benzothiophen-3-yl]carbonyl]phenoxy]-1-piperidin-1-yl-ethanone

Systemtic Name: 2-[4-[[2-(4-hydroxyphenyl)-6-oxidanyl-1-benzothiophen-3-yl]carbonyl]phenoxy]-1-piperidin-1-yl-ethanone Openeye Name: 2-[4-[6-hydroxy-2-(4-hydroxyphenyl)benzothiophene-3-carbonyl]phenoxy]-1-(1-piperidyl)ethanone CAS Name: 2-[4-[[6-hydroxy-2-(4-hydroxyphenyl)-1-benzothiophen-3-yl]-oxomethyl]phenoxy]-1-(1-piperidinyl)ethanone IUPAC Name: 2-[4-[6-hydroxy-2-(4-hydroxyphenyl)-1-benzothiophene-3-carbonyl]phenoxy]-1-piperidin-1-ylethanone Traditional Name: 2-[4-[6-hydroxy-2-(4-hydroxyphenyl)benzothiophene-3-carbonyl]phenoxy]-1-piperidino-ethanone Formula: C28H25NO5S MolecularWeight: 487.5668

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)COC2=CC=C(C=C2)C(=O)C3=C(SC4=C3C=CC(=C4)O)C5=CC=C(C=C5)O

Isomeric SMILES

C1CCN(CC1)C(=O)COC2=CC=C(C=C2)C(=O)C3=C(SC4=C3C=CC(=C4)O)C5=CC=C(C=C5)O

InChI

InChI=1S/C28H25NO5S/c30-20-8-4-19(5-9-20)28-26(23-13-10-21(31)16-24(23)35-28)27(33)18-6-11-22(12-7-18)34-17-25(32)29-14-2-1-3-15-29/h4-13,16,30-31H,1-3,14-15,17H2