tert-butyl (2R,4R)-2-methyl-4-(2-nitrooxyethylcarbamoyl)-1,3-thiazolidine-3-carboxylate

Systemtic Name: tert-butyl (2R,4R)-2-methyl-4-(2-nitrooxyethylcarbamoyl)-1,3-thiazolidine-3-carboxylate Openeye Name: tert-butyl (2R,4R)-2-methyl-4-(2-nitrooxyethylcarbamoyl)thiazolidine-3-carboxylate CAS Name: (2R,4R)-2-methyl-4-[(2-nitrooxyethylamino)-oxomethyl]-3-thiazolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2R,4R)-2-methyl-4-(2-nitrooxyethylcarbamoyl)-1,3-thiazolidine-3-carboxylate Traditional Name: (2R,4R)-2-methyl-4-(2-nitrooxyethylcarbamoyl)thiazolidine-3-carboxylic acid tert-butyl ester Formula: C12H21N3O6S MolecularWeight: 335.37664

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Descriptors Computed from Structure

Canonical SMILES:

CC1N(C(CS1)C(=O)NCCO[N+](=O)[O-])C(=O)OC(C)(C)C

Isomeric SMILES

C[C@@H]1N([C@@H](CS1)C(=O)NCCO[N+](=O)[O-])C(=O)OC(C)(C)C

InChI

InChI=1S/C12H21N3O6S/c1-8-14(11(17)21-12(2,3)4)9(7-22-8)10(16)13-5-6-20-15(18)19/h8-9H,5-7H2,1-4H3,(H,13,16)/t8-,9+/m1/s1