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

Systemtic Name: 2-[4-[[2-(4-hydroxyphenyl)-6-oxidanyl-1-benzothiophen-3-yl]carbonyl]phenoxy]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[4-[6-hydroxy-2-(4-hydroxyphenyl)benzothiophene-3-carbonyl]phenoxy]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[4-[[6-hydroxy-2-(4-hydroxyphenyl)-1-benzothiophen-3-yl]-oxomethyl]phenoxy]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[4-[6-hydroxy-2-(4-hydroxyphenyl)-1-benzothiophene-3-carbonyl]phenoxy]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[4-[6-hydroxy-2-(4-hydroxyphenyl)benzothiophene-3-carbonyl]phenoxy]-1-pyrrolidino-ethanone Formula: C27H23NO5S MolecularWeight: 473.54022

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)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(C1)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/C27H23NO5S/c29-19-7-3-18(4-8-19)27-25(22-12-9-20(30)15-23(22)34-27)26(32)17-5-10-21(11-6-17)33-16-24(31)28-13-1-2-14-28/h3-12,15,29-30H,1-2,13-14,16H2