1-benzothiophen-3-yl-[2-(4-hydroxyphenyl)-6-oxidanyl-4-(2-oxidanyl-3-pyrrolidin-3-yl-propoxy)phenyl]methanone

Systemtic Name: 1-benzothiophen-3-yl-[2-(4-hydroxyphenyl)-6-oxidanyl-4-(2-oxidanyl-3-pyrrolidin-3-yl-propoxy)phenyl]methanone Openeye Name: benzothiophen-3-yl-[2-hydroxy-6-(4-hydroxyphenyl)-4-(2-hydroxy-3-pyrrolidin-3-yl-propoxy)phenyl]methanone CAS Name: 1-benzothiophen-3-yl-[2-hydroxy-6-(4-hydroxyphenyl)-4-[2-hydroxy-3-(3-pyrrolidinyl)propoxy]phenyl]methanone IUPAC Name: 1-benzothiophen-3-yl-[2-hydroxy-6-(4-hydroxyphenyl)-4-(2-hydroxy-3-pyrrolidin-3-ylpropoxy)phenyl]methanone Traditional Name: benzothiophen-3-yl-[2-hydroxy-6-(4-hydroxyphenyl)-4-(2-hydroxy-3-pyrrolidin-3-yl-propoxy)phenyl]methanone Formula: C28H27NO5S MolecularWeight: 489.58268

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCC1CC(COC2=CC(=C(C(=C2)C3=CC=C(C=C3)O)C(=O)C4=CSC5=CC=CC=C54)O)O

Isomeric SMILES

C1CNCC1CC(COC2=CC(=C(C(=C2)C3=CC=C(C=C3)O)C(=O)C4=CSC5=CC=CC=C54)O)O

InChI

InChI=1S/C28H27NO5S/c30-19-7-5-18(6-8-19)23-12-21(34-15-20(31)11-17-9-10-29-14-17)13-25(32)27(23)28(33)24-16-35-26-4-2-1-3-22(24)26/h1-8,12-13,16-17,20,29-32H,9-11,14-15H2