[4-[3-[4-(2-piperidin-1-ylethoxy)phenyl]carbonyl-6-[2,2,2-tris(chloranyl)ethanoyloxy]-1-benzothiophen-2-yl]phenyl] butanoate

Systemtic Name: [4-[3-[4-(2-piperidin-1-ylethoxy)phenyl]carbonyl-6-[2,2,2-tris(chloranyl)ethanoyloxy]-1-benzothiophen-2-yl]phenyl] butanoate Openeye Name: [4-[3-[4-[2-(1-piperidyl)ethoxy]benzoyl]-6-(2,2,2-trichloroacetyl)oxy-benzothiophen-2-yl]phenyl] butanoate CAS Name: butanoic acid [4-[3-[oxo-[4-[2-(1-piperidinyl)ethoxy]phenyl]methyl]-6-(2,2,2-trichloro-1-oxoethoxy)-1-benzothiophen-2-yl]phenyl] ester IUPAC Name: [4-[3-[4-(2-piperidin-1-ylethoxy)benzoyl]-6-(2,2,2-trichloroacetyl)oxy-1-benzothiophen-2-yl]phenyl] butanoate Traditional Name: butyric acid [4-[3-[4-(2-piperidinoethoxy)benzoyl]-6-(2,2,2-trichloroacetyl)oxy-benzothiophen-2-yl]phenyl] ester Formula: C34H32Cl3NO6S MolecularWeight: 689.04498

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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)C(Cl)(Cl)Cl)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)C(Cl)(Cl)Cl)C(=O)C4=CC=C(C=C4)OCCN5CCCCC5

InChI

InChI=1S/C34H32Cl3NO6S/c1-2-6-29(39)43-25-13-9-23(10-14-25)32-30(27-16-15-26(21-28(27)45-32)44-33(41)34(35,36)37)31(40)22-7-11-24(12-8-22)42-20-19-38-17-4-3-5-18-38/h7-16,21H,2-6,17-20H2,1H3