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

Systemtic Name: (4-nitrophenyl)methyl 2-(pyrrolidin-1-ylmethyl)-4-sulfanyl-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 2-(pyrrolidin-1-ylmethyl)-4-sulfanyl-pyrrolidine-1-carboxylate CAS Name: 4-mercapto-2-(1-pyrrolidinylmethyl)-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-(pyrrolidin-1-ylmethyl)-4-sulfanylpyrrolidine-1-carboxylate Traditional Name: 4-mercapto-2-(pyrrolidinomethyl)pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C17H23N3O4S MolecularWeight: 365.44722

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC2CC(CN2C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])S

Isomeric SMILES

C1CCN(C1)CC2CC(CN2C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])S

InChI

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