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

Systemtic Name: [4-[6-butanoyloxy-3-[4-(2-piperidin-1-ylethoxy)phenyl]carbonyl-1-benzothiophen-2-yl]phenyl] butanoate Openeye Name: [4-[6-butanoyloxy-3-[4-[2-(1-piperidyl)ethoxy]benzoyl]benzothiophen-2-yl]phenyl] butanoate CAS Name: butanoic acid [4-[6-(1-oxobutoxy)-3-[oxo-[4-[2-(1-piperidinyl)ethoxy]phenyl]methyl]-1-benzothiophen-2-yl]phenyl] ester IUPAC Name: [4-[6-butanoyloxy-3-[4-(2-piperidin-1-ylethoxy)benzoyl]-1-benzothiophen-2-yl]phenyl] butanoate Traditional Name: butyric acid [4-[6-butyryloxy-3-[4-(2-piperidinoethoxy)benzoyl]benzothiophen-2-yl]phenyl] ester Formula: C36H39NO6S MolecularWeight: 613.76296

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OC1=CC=C(C=C1)C2=C(C3=C(S2)C=C(C=C3)OC(=O)CCC)C(=O)C4=CC=C(C=C4)OCCN5CCCCC5

Isomeric SMILES

CCCC(=O)OC1=CC=C(C=C1)C2=C(C3=C(S2)C=C(C=C3)OC(=O)CCC)C(=O)C4=CC=C(C=C4)OCCN5CCCCC5

InChI

InChI=1S/C36H39NO6S/c1-3-8-32(38)42-28-16-12-26(13-17-28)36-34(30-19-18-29(24-31(30)44-36)43-33(39)9-4-2)35(40)25-10-14-27(15-11-25)41-23-22-37-20-6-5-7-21-37/h10-19,24H,3-9,20-23H2,1-2H3