(4-nitrocyclohexyl)methyl 2-(dimethylcarbamoyl)-4-sulfanyl-pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrocyclohexyl)methyl 2-(dimethylcarbamoyl)-4-sulfanyl-pyrrolidine-1-carboxylate Openeye Name: (4-nitrocyclohexyl)methyl 2-(dimethylcarbamoyl)-4-sulfanyl-pyrrolidine-1-carboxylate CAS Name: 2-[dimethylamino(oxo)methyl]-4-mercapto-1-pyrrolidinecarboxylic acid (4-nitrocyclohexyl)methyl ester IUPAC Name: (4-nitrocyclohexyl)methyl 2-(dimethylcarbamoyl)-4-sulfanylpyrrolidine-1-carboxylate Traditional Name: 2-(dimethylcarbamoyl)-4-mercapto-pyrrolidine-1-carboxylic acid (4-nitrocyclohexyl)methyl ester Formula: C15H25N3O5S MolecularWeight: 359.4411

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C1CC(CN1C(=O)OCC2CCC(CC2)[N+](=O)[O-])S

Isomeric SMILES

CN(C)C(=O)C1CC(CN1C(=O)OCC2CCC(CC2)[N+](=O)[O-])S

InChI

InChI=1S/C15H25N3O5S/c1-16(2)14(19)13-7-12(24)8-17(13)15(20)23-9-10-3-5-11(6-4-10)18(21)22/h10-13,24H,3-9H2,1-2H3