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

Systemtic Name: 2-methylpropyl 2-(4-hydroxyphenyl)-3-[4-(2-piperidin-1-ylethoxy)phenyl]carbonyl-1-benzothiophene-6-carboxylate Openeye Name: isobutyl 2-(4-hydroxyphenyl)-3-[4-[2-(1-piperidyl)ethoxy]benzoyl]benzothiophene-6-carboxylate CAS Name: 2-(4-hydroxyphenyl)-3-[oxo-[4-[2-(1-piperidinyl)ethoxy]phenyl]methyl]-1-benzothiophene-6-carboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 2-(4-hydroxyphenyl)-3-[4-(2-piperidin-1-ylethoxy)benzoyl]-1-benzothiophene-6-carboxylate Traditional Name: 2-(4-hydroxyphenyl)-3-[4-(2-piperidinoethoxy)benzoyl]benzothiophene-6-carboxylic acid isobutyl ester Formula: C33H35NO5S MolecularWeight: 557.6997

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)C1=CC2=C(C=C1)C(=C(S2)C3=CC=C(C=C3)O)C(=O)C4=CC=C(C=C4)OCCN5CCCCC5

Isomeric SMILES

CC(C)COC(=O)C1=CC2=C(C=C1)C(=C(S2)C3=CC=C(C=C3)O)C(=O)C4=CC=C(C=C4)OCCN5CCCCC5

InChI

InChI=1S/C33H35NO5S/c1-22(2)21-39-33(37)25-10-15-28-29(20-25)40-32(24-6-11-26(35)12-7-24)30(28)31(36)23-8-13-27(14-9-23)38-19-18-34-16-4-3-5-17-34/h6-15,20,22,35H,3-5,16-19,21H2,1-2H3