(4-bromanyl-2-pyrrolidin-1-ylcarbothioyl-phenyl) 2-(4-fluorophenyl)ethanoate

Systemtic Name: (4-bromanyl-2-pyrrolidin-1-ylcarbothioyl-phenyl) 2-(4-fluorophenyl)ethanoate Openeye Name: [4-bromo-2-(pyrrolidine-1-carbothioyl)phenyl] 2-(4-fluorophenyl)acetate CAS Name: 2-(4-fluorophenyl)acetic acid [4-bromo-2-[1-pyrrolidinyl(sulfanylidene)methyl]phenyl] ester IUPAC Name: [4-bromo-2-(pyrrolidine-1-carbothioyl)phenyl] 2-(4-fluorophenyl)acetate Traditional Name: 2-(4-fluorophenyl)acetic acid [4-bromo-2-(pyrrolidine-1-carbothioyl)phenyl] ester Formula: C19H17BrFNO2S MolecularWeight: 422.311183

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=S)C2=C(C=CC(=C2)Br)OC(=O)CC3=CC=C(C=C3)F

Isomeric SMILES

C1CCN(C1)C(=S)C2=C(C=CC(=C2)Br)OC(=O)CC3=CC=C(C=C3)F

InChI

InChI=1S/C19H17BrFNO2S/c20-14-5-8-17(16(12-14)19(25)22-9-1-2-10-22)24-18(23)11-13-3-6-15(21)7-4-13/h3-8,12H,1-2,9-11H2