[4-[6-oxidanyl-3-[4-(2-piperidin-1-ylethoxy)phenyl]carbonyl-1-benzothiophen-2-yl]phenyl] 2,4-diethylbenzoate

Systemtic Name: [4-[6-oxidanyl-3-[4-(2-piperidin-1-ylethoxy)phenyl]carbonyl-1-benzothiophen-2-yl]phenyl] 2,4-diethylbenzoate Openeye Name: [4-[6-hydroxy-3-[4-[2-(1-piperidyl)ethoxy]benzoyl]benzothiophen-2-yl]phenyl] 2,4-diethylbenzoate CAS Name: 2,4-diethylbenzoic acid [4-[6-hydroxy-3-[oxo-[4-[2-(1-piperidinyl)ethoxy]phenyl]methyl]-1-benzothiophen-2-yl]phenyl] ester IUPAC Name: [4-[6-hydroxy-3-[4-(2-piperidin-1-ylethoxy)benzoyl]-1-benzothiophen-2-yl]phenyl] 2,4-diethylbenzoate Traditional Name: 2,4-diethylbenzoic acid [4-[6-hydroxy-3-[4-(2-piperidinoethoxy)benzoyl]benzothiophen-2-yl]phenyl] ester Formula: C39H39NO5S MolecularWeight: 633.79566

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=C(C4=C(S3)C=C(C=C4)O)C(=O)C5=CC=C(C=C5)OCCN6CCCCC6)CC

Isomeric SMILES

CCC1=CC(=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=C(C4=C(S3)C=C(C=C4)O)C(=O)C5=CC=C(C=C5)OCCN6CCCCC6)CC

InChI

InChI=1S/C39H39NO5S/c1-3-26-8-18-33(27(4-2)24-26)39(43)45-32-16-11-29(12-17-32)38-36(34-19-13-30(41)25-35(34)46-38)37(42)28-9-14-31(15-10-28)44-23-22-40-20-6-5-7-21-40/h8-19,24-25,41H,3-7,20-23H2,1-2H3