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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC(C1)C2CC(CN2C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])S

Isomeric SMILES

CN1CC(C1)C2CC(CN2C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])S

InChI

InChI=1S/C16H21N3O4S/c1-17-7-12(8-17)15-6-14(24)9-18(15)16(20)23-10-11-2-4-13(5-3-11)19(21)22/h2-5,12,14-15,24H,6-10H2,1H3