[4-[6-ethanoyl-3-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-1-benzothiophen-2-yl]phenyl] hexanoate

Systemtic Name: [4-[6-ethanoyl-3-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-1-benzothiophen-2-yl]phenyl] hexanoate Openeye Name: [4-[6-acetyl-3-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]benzothiophen-2-yl]phenyl] hexanoate CAS Name: hexanoic acid [4-[6-acetyl-3-[[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]methyl]-1-benzothiophen-2-yl]phenyl] ester IUPAC Name: [4-[6-acetyl-3-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-1-benzothiophen-2-yl]phenyl] hexanoate Traditional Name: hexanoic acid [4-[6-acetyl-3-[4-(2-pyrrolidinoethoxy)benzyl]benzothiophen-2-yl]phenyl] ester Formula: C35H39NO4S MolecularWeight: 569.75346

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)OC1=CC=C(C=C1)C2=C(C3=C(S2)C=C(C=C3)C(=O)C)CC4=CC=C(C=C4)OCCN5CCCC5

Isomeric SMILES

CCCCCC(=O)OC1=CC=C(C=C1)C2=C(C3=C(S2)C=C(C=C3)C(=O)C)CC4=CC=C(C=C4)OCCN5CCCC5

InChI

InChI=1S/C35H39NO4S/c1-3-4-5-8-34(38)40-30-16-11-27(12-17-30)35-32(31-18-13-28(25(2)37)24-33(31)41-35)23-26-9-14-29(15-10-26)39-22-21-36-19-6-7-20-36/h9-18,24H,3-8,19-23H2,1-2H3