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

Systemtic Name: [4-[6-oxidanyl-3-[4-(2-piperidin-1-ylethoxy)phenyl]carbonyl-1-benzothiophen-2-yl]phenyl] 3-ethylhexanoate Openeye Name: [4-[6-hydroxy-3-[4-[2-(1-piperidyl)ethoxy]benzoyl]benzothiophen-2-yl]phenyl] 3-ethylhexanoate CAS Name: 3-ethylhexanoic 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] 3-ethylhexanoate Traditional Name: 3-ethylhexanoic acid [4-[6-hydroxy-3-[4-(2-piperidinoethoxy)benzoyl]benzothiophen-2-yl]phenyl] ester Formula: C36H41NO5S MolecularWeight: 599.77944

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CC)CC(=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

CCCC(CC)CC(=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/C36H41NO5S/c1-3-8-25(4-2)23-33(39)42-30-16-11-27(12-17-30)36-34(31-18-13-28(38)24-32(31)43-36)35(40)26-9-14-29(15-10-26)41-22-21-37-19-6-5-7-20-37/h9-18,24-25,38H,3-8,19-23H2,1-2H3