ethyl (2R,4S)-5,5-dimethyl-2-(5-nitro-2-oxidanyl-phenyl)-1,3-thiazolidine-4-carboxylate

Systemtic Name: ethyl (2R,4S)-5,5-dimethyl-2-(5-nitro-2-oxidanyl-phenyl)-1,3-thiazolidine-4-carboxylate Openeye Name: ethyl (2R,4S)-2-(2-hydroxy-5-nitro-phenyl)-5,5-dimethyl-thiazolidine-4-carboxylate CAS Name: (2R,4S)-2-(2-hydroxy-5-nitrophenyl)-5,5-dimethyl-4-thiazolidinecarboxylic acid ethyl ester IUPAC Name: ethyl (2R,4S)-2-(2-hydroxy-5-nitrophenyl)-5,5-dimethyl-1,3-thiazolidine-4-carboxylate Traditional Name: (2R,4S)-2-(2-hydroxy-5-nitro-phenyl)-5,5-dimethyl-thiazolidine-4-carboxylic acid ethyl ester Formula: C14H18N2O5S MolecularWeight: 326.36812

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(SC(N1)C2=C(C=CC(=C2)[N+](=O)[O-])O)(C)C

Isomeric SMILES

CCOC(=O)[C@H]1C(S[C@@H](N1)C2=C(C=CC(=C2)[N+](=O)[O-])O)(C)C

InChI

InChI=1S/C14H18N2O5S/c1-4-21-13(18)11-14(2,3)22-12(15-11)9-7-8(16(19)20)5-6-10(9)17/h5-7,11-12,15,17H,4H2,1-3H3/t11-,12+/m0/s1