(4-nitrophenyl)methyl 3-(pyrrolidin-1-ylmethylsulfanyl)pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 3-(pyrrolidin-1-ylmethylsulfanyl)pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 3-(pyrrolidin-1-ylmethylsulfanyl)pyrrolidine-1-carboxylate CAS Name: 3-(1-pyrrolidinylmethylthio)-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 3-(pyrrolidin-1-ylmethylsulfanyl)pyrrolidine-1-carboxylate Traditional Name: 3-(pyrrolidinomethylthio)pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C17H23N3O4S MolecularWeight: 365.44722

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CSC2CCN(C2)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)CSC2CCN(C2)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H23N3O4S/c21-17(24-12-14-3-5-15(6-4-14)20(22)23)19-10-7-16(11-19)25-13-18-8-1-2-9-18/h3-6,16H,1-2,7-13H2