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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(C1)C2CC(CN2C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])S

Isomeric SMILES

CN1CCC(C1)C2CC(CN2C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])S

InChI

InChI=1S/C17H23N3O4S/c1-18-7-6-13(9-18)16-8-15(25)10-19(16)17(21)24-11-12-2-4-14(5-3-12)20(22)23/h2-5,13,15-16,25H,6-11H2,1H3