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

Systemtic Name: (2R,4S)-3-ethanoyl-5,5-dimethyl-2-(5-nitrofuran-2-yl)-1,3-thiazolidine-4-carboxylic acid Openeye Name: (2R,4S)-3-acetyl-5,5-dimethyl-2-(5-nitro-2-furyl)thiazolidine-4-carboxylic acid CAS Name: (2R,4S)-3-acetyl-5,5-dimethyl-2-(5-nitro-2-furanyl)-4-thiazolidinecarboxylic acid IUPAC Name: (2R,4S)-3-acetyl-5,5-dimethyl-2-(5-nitrofuran-2-yl)-1,3-thiazolidine-4-carboxylic acid Traditional Name: (2R,4S)-3-acetyl-5,5-dimethyl-2-(5-nitro-2-furyl)thiazolidine-4-carboxylic acid Formula: C12H14N2O6S MolecularWeight: 314.31436

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C(SC(C1C(=O)O)(C)C)C2=CC=C(O2)[N+](=O)[O-]

Isomeric SMILES

CC(=O)N1[C@H](SC([C@@H]1C(=O)O)(C)C)C2=CC=C(O2)[N+](=O)[O-]

InChI

InChI=1S/C12H14N2O6S/c1-6(15)13-9(11(16)17)12(2,3)21-10(13)7-4-5-8(20-7)14(18)19/h4-5,9-10H,1-3H3,(H,16,17)/t9-,10+/m0/s1