[4-[6-oxidanyl-3-[4-(2-piperidin-1-ylethoxy)phenyl]carbonyl-1-benzothiophen-2-yl]phenyl] 2,2-diethylheptanoate

Systemtic Name: [4-[6-oxidanyl-3-[4-(2-piperidin-1-ylethoxy)phenyl]carbonyl-1-benzothiophen-2-yl]phenyl] 2,2-diethylheptanoate Openeye Name: [4-[6-hydroxy-3-[4-[2-(1-piperidyl)ethoxy]benzoyl]benzothiophen-2-yl]phenyl] 2,2-diethylheptanoate CAS Name: 2,2-diethylheptanoic acid [4-[6-hydroxy-3-[oxo-[4-[2-(1-piperidinyl)ethoxy]phenyl]methyl]-1-benzothiophen-2-yl]phenyl] ester IUPAC Name: [4-[6-hydroxy-3-[4-(2-piperidin-1-ylethoxy)benzoyl]-1-benzothiophen-2-yl]phenyl] 2,2-diethylheptanoate Traditional Name: 2,2-diethylenanthic acid [4-[6-hydroxy-3-[4-(2-piperidinoethoxy)benzoyl]benzothiophen-2-yl]phenyl] ester Formula: C39H47NO5S MolecularWeight: 641.85918

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC)(CC)C(=O)OC1=CC=C(C=C1)C2=C(C3=C(S2)C=C(C=C3)O)C(=O)C4=CC=C(C=C4)OCCN5CCCCC5

Isomeric SMILES

CCCCCC(CC)(CC)C(=O)OC1=CC=C(C=C1)C2=C(C3=C(S2)C=C(C=C3)O)C(=O)C4=CC=C(C=C4)OCCN5CCCCC5

InChI

InChI=1S/C39H47NO5S/c1-4-7-9-22-39(5-2,6-3)38(43)45-32-19-14-29(15-20-32)37-35(33-21-16-30(41)27-34(33)46-37)36(42)28-12-17-31(18-13-28)44-26-25-40-23-10-8-11-24-40/h12-21,27,41H,4-11,22-26H2,1-3H3