2-(4-bromanylphenoxy)ethyl 2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanylbenzoate

Systemtic Name: 2-(4-bromanylphenoxy)ethyl 2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanylbenzoate Openeye Name: 2-(4-bromophenoxy)ethyl 2-(2-oxo-2-pyrrolidin-1-yl-ethyl)sulfanylbenzoate CAS Name: 2-[[2-oxo-2-(1-pyrrolidinyl)ethyl]thio]benzoic acid 2-(4-bromophenoxy)ethyl ester IUPAC Name: 2-(4-bromophenoxy)ethyl 2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzoate Traditional Name: 2-[(2-keto-2-pyrrolidino-ethyl)thio]benzoic acid 2-(4-bromophenoxy)ethyl ester Formula: C21H22BrNO4S MolecularWeight: 464.37268

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)CSC2=CC=CC=C2C(=O)OCCOC3=CC=C(C=C3)Br

Isomeric SMILES

C1CCN(C1)C(=O)CSC2=CC=CC=C2C(=O)OCCOC3=CC=C(C=C3)Br

InChI

InChI=1S/C21H22BrNO4S/c22-16-7-9-17(10-8-16)26-13-14-27-21(25)18-5-1-2-6-19(18)28-15-20(24)23-11-3-4-12-23/h1-2,5-10H,3-4,11-15H2