[2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1-benzothiophen-4-yl] 4-fluoranylbenzoate

Systemtic Name: [2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1-benzothiophen-4-yl] 4-fluoranylbenzoate Openeye Name: [2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]benzothiophen-4-yl] 4-fluorobenzoate CAS Name: 4-fluorobenzoic acid [2-[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]-1-benzothiophen-4-yl] ester IUPAC Name: [2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1-benzothiophen-4-yl] 4-fluorobenzoate Traditional Name: 4-fluorobenzoic acid [2-[4-(2-pyrrolidinoethoxy)phenyl]benzothiophen-4-yl] ester Formula: C27H24FNO3S MolecularWeight: 461.547763

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCOC2=CC=C(C=C2)C3=CC4=C(C=CC=C4S3)OC(=O)C5=CC=C(C=C5)F

Isomeric SMILES

C1CCN(C1)CCOC2=CC=C(C=C2)C3=CC4=C(C=CC=C4S3)OC(=O)C5=CC=C(C=C5)F

InChI

InChI=1S/C27H24FNO3S/c28-21-10-6-20(7-11-21)27(30)32-24-4-3-5-25-23(24)18-26(33-25)19-8-12-22(13-9-19)31-17-16-29-14-1-2-15-29/h3-13,18H,1-2,14-17H2