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

Systemtic Name: tert-butyl (2R,4R)-2-(2-acetyloxyphenyl)-4-(2-nitrooxyethylcarbamoyl)-1,3-thiazolidine-3-carboxylate Openeye Name: tert-butyl (2R,4R)-2-(2-acetoxyphenyl)-4-(2-nitrooxyethylcarbamoyl)thiazolidine-3-carboxylate CAS Name: (2R,4R)-2-(2-acetyloxyphenyl)-4-[(2-nitrooxyethylamino)-oxomethyl]-3-thiazolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2R,4R)-2-(2-acetyloxyphenyl)-4-(2-nitrooxyethylcarbamoyl)-1,3-thiazolidine-3-carboxylate Traditional Name: (2R,4R)-2-(2-acetoxyphenyl)-4-(2-nitrooxyethylcarbamoyl)thiazolidine-3-carboxylic acid tert-butyl ester Formula: C19H25N3O8S MolecularWeight: 455.4821

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=CC=C1C2N(C(CS2)C(=O)NCCO[N+](=O)[O-])C(=O)OC(C)(C)C

Isomeric SMILES

CC(=O)OC1=CC=CC=C1[C@@H]2N([C@@H](CS2)C(=O)NCCO[N+](=O)[O-])C(=O)OC(C)(C)C

InChI

InChI=1S/C19H25N3O8S/c1-12(23)29-15-8-6-5-7-13(15)17-21(18(25)30-19(2,3)4)14(11-31-17)16(24)20-9-10-28-22(26)27/h5-8,14,17H,9-11H2,1-4H3,(H,20,24)/t14-,17+/m0/s1