(4-bromophenyl)methyl 2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanylbenzoate

Systemtic Name: (4-bromophenyl)methyl 2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanylbenzoate Openeye Name: (4-bromophenyl)methyl 2-(2-oxo-2-pyrrolidin-1-yl-ethyl)sulfanylbenzoate CAS Name: 2-[[2-oxo-2-(1-pyrrolidinyl)ethyl]thio]benzoic acid (4-bromophenyl)methyl ester IUPAC Name: (4-bromophenyl)methyl 2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzoate Traditional Name: 2-[(2-keto-2-pyrrolidino-ethyl)thio]benzoic acid (4-bromobenzyl) ester Formula: C20H20BrNO3S MolecularWeight: 434.3467

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20BrNO3S/c21-16-9-7-15(8-10-16)13-25-20(24)17-5-1-2-6-18(17)26-14-19(23)22-11-3-4-12-22/h1-2,5-10H,3-4,11-14H2