[5-(1-benzothiophen-3-ylcarbonyl)-2-(2-pyrrolidin-1-ylethoxy)phenyl] 4-fluoranylbenzoate

Systemtic Name: [5-(1-benzothiophen-3-ylcarbonyl)-2-(2-pyrrolidin-1-ylethoxy)phenyl] 4-fluoranylbenzoate Openeye Name: [5-(benzothiophene-3-carbonyl)-2-(2-pyrrolidin-1-ylethoxy)phenyl] 4-fluorobenzoate CAS Name: 4-fluorobenzoic acid [5-[1-benzothiophen-3-yl(oxo)methyl]-2-[2-(1-pyrrolidinyl)ethoxy]phenyl] ester IUPAC Name: [5-(1-benzothiophene-3-carbonyl)-2-(2-pyrrolidin-1-ylethoxy)phenyl] 4-fluorobenzoate Traditional Name: 4-fluorobenzoic acid [5-(benzothiophene-3-carbonyl)-2-(2-pyrrolidinoethoxy)phenyl] ester Formula: C28H24FNO4S MolecularWeight: 489.557863

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCOC2=C(C=C(C=C2)C(=O)C3=CSC4=CC=CC=C43)OC(=O)C5=CC=C(C=C5)F

Isomeric SMILES

C1CCN(C1)CCOC2=C(C=C(C=C2)C(=O)C3=CSC4=CC=CC=C43)OC(=O)C5=CC=C(C=C5)F

InChI

InChI=1S/C28H24FNO4S/c29-21-10-7-19(8-11-21)28(32)34-25-17-20(9-12-24(25)33-16-15-30-13-3-4-14-30)27(31)23-18-35-26-6-2-1-5-22(23)26/h1-2,5-12,17-18H,3-4,13-16H2