(4-nitrophenyl)methyl 2-pyrrolidin-3-yl-4-sulfanyl-pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 2-pyrrolidin-3-yl-4-sulfanyl-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 2-pyrrolidin-3-yl-4-sulfanyl-pyrrolidine-1-carboxylate CAS Name: 4-mercapto-2-(3-pyrrolidinyl)-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-pyrrolidin-3-yl-4-sulfanylpyrrolidine-1-carboxylate Traditional Name: 4-mercapto-2-pyrrolidin-3-yl-pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C16H21N3O4S MolecularWeight: 351.42064

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCC1C2CC(CN2C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])S

Isomeric SMILES

C1CNCC1C2CC(CN2C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])S

InChI

InChI=1S/C16H21N3O4S/c20-16(23-10-11-1-3-13(4-2-11)19(21)22)18-9-14(24)7-15(18)12-5-6-17-8-12/h1-4,12,14-15,17,24H,5-10H2