O1-diphenylphosphinothioyl O2,O5-dimethyl (2R,5R)-pyrrolidine-1,2,5-tricarboxylate

Systemtic Name: O1-diphenylphosphinothioyl O2,O5-dimethyl (2R,5R)-pyrrolidine-1,2,5-tricarboxylate Openeye Name: O1-diphenylphosphinothioyl O2,O5-dimethyl (2R,5R)-pyrrolidine-1,2,5-tricarboxylate CAS Name: (2R,5R)-pyrrolidine-1,2,5-tricarboxylic acid O1-diphenylphosphinothioyl ester O2,O5-dimethyl ester IUPAC Name: 1-O-diphenylphosphinothioyl 2-O,5-O-dimethyl (2R,5R)-pyrrolidine-1,2,5-tricarboxylate Traditional Name: (2R,5R)-pyrrolidine-1,2,5-tricarboxylic acid O1-diphenylthiophosphoryl ester O2,O5-dimethyl ester Formula: C21H22NO6PS MolecularWeight: 447.441241

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCC(N1C(=O)OP(=S)(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

COC(=O)[C@H]1CC[C@@H](N1C(=O)OP(=S)(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C21H22NO6PS/c1-26-19(23)17-13-14-18(20(24)27-2)22(17)21(25)28-29(30,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17-18H,13-14H2,1-2H3/t17-,18-/m1/s1