bis[2-[2-(4-hydroxyphenyl)-1-benzothiophen-3-yl]-6-oxidanyl-4-(2-piperidin-1-ylethoxy)phenyl]methanone

Systemtic Name: bis[2-[2-(4-hydroxyphenyl)-1-benzothiophen-3-yl]-6-oxidanyl-4-(2-piperidin-1-ylethoxy)phenyl]methanone Openeye Name: bis[2-hydroxy-6-[2-(4-hydroxyphenyl)benzothiophen-3-yl]-4-[2-(1-piperidyl)ethoxy]phenyl]methanone CAS Name: bis[2-hydroxy-6-[2-(4-hydroxyphenyl)-1-benzothiophen-3-yl]-4-[2-(1-piperidinyl)ethoxy]phenyl]methanone IUPAC Name: bis[2-hydroxy-6-[2-(4-hydroxyphenyl)-1-benzothiophen-3-yl]-4-(2-piperidin-1-ylethoxy)phenyl]methanone Traditional Name: bis[2-hydroxy-6-[2-(4-hydroxyphenyl)benzothiophen-3-yl]-4-(2-piperidinoethoxy)phenyl]methanone Formula: C55H52N2O7S2 MolecularWeight: 917.14058

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCOC2=CC(=C(C(=C2)C3=C(SC4=CC=CC=C43)C5=CC=C(C=C5)O)C(=O)C6=C(C=C(C=C6C7=C(SC8=CC=CC=C87)C9=CC=C(C=C9)O)OCCN1CCCCC1)O)O

Isomeric SMILES

C1CCN(CC1)CCOC2=CC(=C(C(=C2)C3=C(SC4=CC=CC=C43)C5=CC=C(C=C5)O)C(=O)C6=C(C=C(C=C6C7=C(SC8=CC=CC=C87)C9=CC=C(C=C9)O)OCCN1CCCCC1)O)O

InChI

InChI=1S/C55H52N2O7S2/c58-37-19-15-35(16-20-37)54-49(41-11-3-5-13-47(41)65-54)43-31-39(63-29-27-56-23-7-1-8-24-56)33-45(60)51(43)53(62)52-44(32-40(34-46(52)61)64-30-28-57-25-9-2-10-26-57)50-42-12-4-6-14-48(42)66-55(50)36-17-21-38(59)22-18-36/h3-6,11-22,31-34,58-61H,1-2,7-10,23-30H2