[4-[6-ethynyl-3-[4-(2-piperidin-1-ylethoxy)phenyl]carbonyl-1-benzothiophen-2-yl]phenyl] butanoate

Systemtic Name: [4-[6-ethynyl-3-[4-(2-piperidin-1-ylethoxy)phenyl]carbonyl-1-benzothiophen-2-yl]phenyl] butanoate Openeye Name: [4-[6-ethynyl-3-[4-[2-(1-piperidyl)ethoxy]benzoyl]benzothiophen-2-yl]phenyl] butanoate CAS Name: butanoic acid [4-[6-ethynyl-3-[oxo-[4-[2-(1-piperidinyl)ethoxy]phenyl]methyl]-1-benzothiophen-2-yl]phenyl] ester IUPAC Name: [4-[6-ethynyl-3-[4-(2-piperidin-1-ylethoxy)benzoyl]-1-benzothiophen-2-yl]phenyl] butanoate Traditional Name: butyric acid [4-[6-ethynyl-3-[4-(2-piperidinoethoxy)benzoyl]benzothiophen-2-yl]phenyl] ester Formula: C34H33NO4S MolecularWeight: 551.69512

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

InChI

InChI=1S/C34H33NO4S/c1-3-8-31(36)39-28-16-12-26(13-17-28)34-32(29-18-9-24(4-2)23-30(29)40-34)33(37)25-10-14-27(15-11-25)38-22-21-35-19-6-5-7-20-35/h2,9-18,23H,3,5-8,19-22H2,1H3