ethyl (2S)-1-[(4-bromanyl-2-chloranyl-phenoxy)-propylsulfanyl-phosphoryl]pyrrolidine-2-carboxylate

Systemtic Name: ethyl (2S)-1-[(4-bromanyl-2-chloranyl-phenoxy)-propylsulfanyl-phosphoryl]pyrrolidine-2-carboxylate Openeye Name: ethyl (2S)-1-[(4-bromo-2-chloro-phenoxy)-propylsulfanyl-phosphoryl]pyrrolidine-2-carboxylate CAS Name: (2S)-1-[(4-bromo-2-chlorophenoxy)-(propylthio)phosphoryl]-2-pyrrolidinecarboxylic acid ethyl ester IUPAC Name: ethyl (2S)-1-[(4-bromo-2-chlorophenoxy)-propylsulfanylphosphoryl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-[(4-bromo-2-chloro-phenoxy)-(propylthio)phosphoryl]pyrrolidine-2-carboxylic acid ethyl ester Formula: C16H22BrClNO4PS MolecularWeight: 470.745941

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Descriptors Computed from Structure

Canonical SMILES:

CCCSP(=O)(N1CCCC1C(=O)OCC)OC2=C(C=C(C=C2)Br)Cl

Isomeric SMILES

CCCSP(=O)(N1CCC[C@H]1C(=O)OCC)OC2=C(C=C(C=C2)Br)Cl

InChI

InChI=1S/C16H22BrClNO4PS/c1-3-10-25-24(21,23-15-8-7-12(17)11-13(15)18)19-9-5-6-14(19)16(20)22-4-2/h7-8,11,14H,3-6,9-10H2,1-2H3/t14-,24?/m0/s1