[5-[6-ethynyl-3-[4-(2-piperidin-1-ylethoxy)phenyl]carbonyl-1-benzothiophen-2-yl]-2-fluoranyl-phenyl] ethanoate

Systemtic Name: [5-[6-ethynyl-3-[4-(2-piperidin-1-ylethoxy)phenyl]carbonyl-1-benzothiophen-2-yl]-2-fluoranyl-phenyl] ethanoate Openeye Name: [5-[6-ethynyl-3-[4-[2-(1-piperidyl)ethoxy]benzoyl]benzothiophen-2-yl]-2-fluoro-phenyl] acetate CAS Name: acetic acid [5-[6-ethynyl-3-[oxo-[4-[2-(1-piperidinyl)ethoxy]phenyl]methyl]-1-benzothiophen-2-yl]-2-fluorophenyl] ester IUPAC Name: [5-[6-ethynyl-3-[4-(2-piperidin-1-ylethoxy)benzoyl]-1-benzothiophen-2-yl]-2-fluorophenyl] acetate Traditional Name: acetic acid [5-[6-ethynyl-3-[4-(2-piperidinoethoxy)benzoyl]benzothiophen-2-yl]-2-fluoro-phenyl] ester Formula: C32H28FNO4S MolecularWeight: 541.632423

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C=CC(=C1)C2=C(C3=C(S2)C=C(C=C3)C#C)C(=O)C4=CC=C(C=C4)OCCN5CCCCC5)F

Isomeric SMILES

CC(=O)OC1=C(C=CC(=C1)C2=C(C3=C(S2)C=C(C=C3)C#C)C(=O)C4=CC=C(C=C4)OCCN5CCCCC5)F

InChI

InChI=1S/C32H28FNO4S/c1-3-22-7-13-26-29(19-22)39-32(24-10-14-27(33)28(20-24)38-21(2)35)30(26)31(36)23-8-11-25(12-9-23)37-18-17-34-15-5-4-6-16-34/h1,7-14,19-20H,4-6,15-18H2,2H3