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

Systemtic Name: [4-[6-octadecanoyloxy-3-[4-(2-piperidin-1-ylethoxy)phenyl]carbonyl-1-benzothiophen-2-yl]phenyl] octadecanoate Openeye Name: [4-[6-octadecanoyloxy-3-[4-[2-(1-piperidyl)ethoxy]benzoyl]benzothiophen-2-yl]phenyl] octadecanoate CAS Name: octadecanoic acid [4-[6-(1-oxooctadecoxy)-3-[oxo-[4-[2-(1-piperidinyl)ethoxy]phenyl]methyl]-1-benzothiophen-2-yl]phenyl] ester IUPAC Name: [4-[6-octadecanoyloxy-3-[4-(2-piperidin-1-ylethoxy)benzoyl]-1-benzothiophen-2-yl]phenyl] octadecanoate Traditional Name: stearic acid [4-[3-[4-(2-piperidinoethoxy)benzoyl]-6-stearoyloxy-benzothiophen-2-yl]phenyl] ester Formula: C64H95NO6S MolecularWeight: 1006.5072

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OC1=CC=C(C=C1)C2=C(C3=C(S2)C=C(C=C3)OC(=O)CCCCCCCCCCCCCCCCC)C(=O)C4=CC=C(C=C4)OCCN5CCCCC5

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OC1=CC=C(C=C1)C2=C(C3=C(S2)C=C(C=C3)OC(=O)CCCCCCCCCCCCCCCCC)C(=O)C4=CC=C(C=C4)OCCN5CCCCC5

InChI

InChI=1S/C64H95NO6S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-32-36-60(66)70-56-44-40-54(41-45-56)64-62(63(68)53-38-42-55(43-39-53)69-51-50-65-48-34-31-35-49-65)58-47-46-57(52-59(58)72-64)71-61(67)37-33-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h38-47,52H,3-37,48-51H2,1-2H3