(4-nitrophenyl)methyl 2-(1-azabicyclo[2.2.2]octan-3-ylcarbamoyl)-4-sulfanyl-pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 2-(1-azabicyclo[2.2.2]octan-3-ylcarbamoyl)-4-sulfanyl-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 2-(quinuclidin-3-ylcarbamoyl)-4-sulfanyl-pyrrolidine-1-carboxylate CAS Name: 2-[(1-azabicyclo[2.2.2]octan-3-ylamino)-oxomethyl]-4-mercapto-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-(1-azabicyclo[2.2.2]octan-3-ylcarbamoyl)-4-sulfanylpyrrolidine-1-carboxylate Traditional Name: 4-mercapto-2-(quinuclidin-3-ylcarbamoyl)pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C20H26N4O5S MolecularWeight: 434.50924

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Descriptors Computed from Structure

Canonical SMILES:

C1CN2CCC1C(C2)NC(=O)C3CC(CN3C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-])S

Isomeric SMILES

C1CN2CCC1C(C2)NC(=O)C3CC(CN3C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-])S

InChI

InChI=1S/C20H26N4O5S/c25-19(21-17-11-22-7-5-14(17)6-8-22)18-9-16(30)10-23(18)20(26)29-12-13-1-3-15(4-2-13)24(27)28/h1-4,14,16-18,30H,5-12H2,(H,21,25)