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

Systemtic Name: [3-[4-(2-piperidin-1-ylethoxy)phenyl]carbonyl-2-(4-propanoyloxyphenyl)-1-benzothiophen-6-yl] 3-propylnonanoate Openeye Name: [3-[4-[2-(1-piperidyl)ethoxy]benzoyl]-2-(4-propanoyloxyphenyl)benzothiophen-6-yl] 3-propylnonanoate CAS Name: 3-propylnonanoic acid [3-[oxo-[4-[2-(1-piperidinyl)ethoxy]phenyl]methyl]-2-[4-(1-oxopropoxy)phenyl]-1-benzothiophen-6-yl] ester IUPAC Name: [3-[4-(2-piperidin-1-ylethoxy)benzoyl]-2-(4-propanoyloxyphenyl)-1-benzothiophen-6-yl] 3-propylnonanoate Traditional Name: 3-propylpelargonic acid [3-[4-(2-piperidinoethoxy)benzoyl]-2-(4-propionyloxyphenyl)benzothiophen-6-yl] ester Formula: C43H53NO6S MolecularWeight: 711.94902

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CCC)CC(=O)OC1=CC2=C(C=C1)C(=C(S2)C3=CC=C(C=C3)OC(=O)CC)C(=O)C4=CC=C(C=C4)OCCN5CCCCC5

Isomeric SMILES

CCCCCCC(CCC)CC(=O)OC1=CC2=C(C=C1)C(=C(S2)C3=CC=C(C=C3)OC(=O)CC)C(=O)C4=CC=C(C=C4)OCCN5CCCCC5

InChI

InChI=1S/C43H53NO6S/c1-4-7-8-10-14-31(13-5-2)29-40(46)50-36-23-24-37-38(30-36)51-43(33-17-21-35(22-18-33)49-39(45)6-3)41(37)42(47)32-15-19-34(20-16-32)48-28-27-44-25-11-9-12-26-44/h15-24,30-31H,4-14,25-29H2,1-3H3