(4-bromanyl-2-fluoranyl-phenyl)methyl 2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanylbenzoate

Systemtic Name: (4-bromanyl-2-fluoranyl-phenyl)methyl 2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanylbenzoate Openeye Name: (4-bromo-2-fluoro-phenyl)methyl 2-(2-oxo-2-pyrrolidin-1-yl-ethyl)sulfanylbenzoate CAS Name: 2-[[2-oxo-2-(1-pyrrolidinyl)ethyl]thio]benzoic acid (4-bromo-2-fluorophenyl)methyl ester IUPAC Name: (4-bromo-2-fluorophenyl)methyl 2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzoate Traditional Name: 2-[(2-keto-2-pyrrolidino-ethyl)thio]benzoic acid (4-bromo-2-fluoro-benzyl) ester Formula: C20H19BrFNO3S MolecularWeight: 452.337163

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)CSC2=CC=CC=C2C(=O)OCC3=C(C=C(C=C3)Br)F

Isomeric SMILES

C1CCN(C1)C(=O)CSC2=CC=CC=C2C(=O)OCC3=C(C=C(C=C3)Br)F

InChI

InChI=1S/C20H19BrFNO3S/c21-15-8-7-14(17(22)11-15)12-26-20(25)16-5-1-2-6-18(16)27-13-19(24)23-9-3-4-10-23/h1-2,5-8,11H,3-4,9-10,12-13H2