butyl 3-[4-(2-piperidin-1-ylethoxy)phenyl]carbonyl-2-(4-propanoyloxyphenyl)-1-benzothiophene-6-carboxylate

Systemtic Name: butyl 3-[4-(2-piperidin-1-ylethoxy)phenyl]carbonyl-2-(4-propanoyloxyphenyl)-1-benzothiophene-6-carboxylate Openeye Name: butyl 3-[4-[2-(1-piperidyl)ethoxy]benzoyl]-2-(4-propanoyloxyphenyl)benzothiophene-6-carboxylate CAS Name: 3-[oxo-[4-[2-(1-piperidinyl)ethoxy]phenyl]methyl]-2-[4-(1-oxopropoxy)phenyl]-1-benzothiophene-6-carboxylic acid butyl ester IUPAC Name: butyl 3-[4-(2-piperidin-1-ylethoxy)benzoyl]-2-(4-propanoyloxyphenyl)-1-benzothiophene-6-carboxylate Traditional Name: 3-[4-(2-piperidinoethoxy)benzoyl]-2-(4-propionyloxyphenyl)benzothiophene-6-carboxylic acid butyl ester Formula: C36H39NO6S MolecularWeight: 613.76296

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=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

CCCCOC(=O)C1=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/C36H39NO6S/c1-3-5-22-42-36(40)27-13-18-30-31(24-27)44-35(26-11-16-29(17-12-26)43-32(38)4-2)33(30)34(39)25-9-14-28(15-10-25)41-23-21-37-19-7-6-8-20-37/h9-18,24H,3-8,19-23H2,1-2H3