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

Systemtic Name: (4-nitrophenyl)methyl 2-(1-ethylazetidin-3-yl)-4-sulfanyl-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 2-(1-ethylazetidin-3-yl)-4-sulfanyl-pyrrolidine-1-carboxylate CAS Name: 2-(1-ethyl-3-azetidinyl)-4-mercapto-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-(1-ethylazetidin-3-yl)-4-sulfanylpyrrolidine-1-carboxylate Traditional Name: 2-(1-ethylazetidin-3-yl)-4-mercapto-pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C17H23N3O4S MolecularWeight: 365.44722

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CC(C1)C2CC(CN2C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])S

Isomeric SMILES

CCN1CC(C1)C2CC(CN2C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])S

InChI

InChI=1S/C17H23N3O4S/c1-2-18-8-13(9-18)16-7-15(25)10-19(16)17(21)24-11-12-3-5-14(6-4-12)20(22)23/h3-6,13,15-16,25H,2,7-11H2,1H3