(2S,4R)-3-ethanoyl-5,5-dimethyl-2-(4-nitrophenyl)-1,3-thiazolidine-4-carboxylic acid

Systemtic Name: (2S,4R)-3-ethanoyl-5,5-dimethyl-2-(4-nitrophenyl)-1,3-thiazolidine-4-carboxylic acid Openeye Name: (2S,4R)-3-acetyl-5,5-dimethyl-2-(4-nitrophenyl)thiazolidine-4-carboxylic acid CAS Name: (2S,4R)-3-acetyl-5,5-dimethyl-2-(4-nitrophenyl)-4-thiazolidinecarboxylic acid IUPAC Name: (2S,4R)-3-acetyl-5,5-dimethyl-2-(4-nitrophenyl)-1,3-thiazolidine-4-carboxylic acid Traditional Name: (2S,4R)-3-acetyl-5,5-dimethyl-2-(4-nitrophenyl)thiazolidine-4-carboxylic acid Formula: C14H16N2O5S MolecularWeight: 324.35224

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C(SC(C1C(=O)O)(C)C)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C14H16N2O5S/c1-8(17)15-11(13(18)19)14(2,3)22-12(15)9-4-6-10(7-5-9)16(20)21/h4-7,11-12H,1-3H3,(H,18,19)/t11-,12+/m1/s1