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

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

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

Isomeric SMILES

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

InChI

InChI=1S/C36H39NO6S/c1-3-4-6-9-32(38)43-29-17-12-26(13-18-29)35-33(30-19-14-27(36(40)41-2)24-31(30)44-35)34(39)25-10-15-28(16-11-25)42-23-22-37-20-7-5-8-21-37/h10-19,24H,3-9,20-23H2,1-2H3