(2R,4R)-2-(4-methyl-3-nitro-phenyl)-1,3-thiazolidin-3-ium-4-carboxylate

Systemtic Name: (2R,4R)-2-(4-methyl-3-nitro-phenyl)-1,3-thiazolidin-3-ium-4-carboxylate Openeye Name: (2R,4R)-2-(4-methyl-3-nitro-phenyl)thiazolidin-3-ium-4-carboxylate CAS Name: (2R,4R)-2-(4-methyl-3-nitrophenyl)-4-thiazolidin-3-iumcarboxylate IUPAC Name: (2R,4R)-2-(4-methyl-3-nitrophenyl)-1,3-thiazolidin-3-ium-4-carboxylate Traditional Name: (2R,4R)-2-(4-methyl-3-nitro-phenyl)thiazolidin-3-ium-4-carboxylate Formula: C11H12N2O4S MolecularWeight: 268.28898

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2[NH2+]C(CS2)C(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)[C@@H]2[NH2+][C@@H](CS2)C(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C11H12N2O4S/c1-6-2-3-7(4-9(6)13(16)17)10-12-8(5-18-10)11(14)15/h2-4,8,10,12H,5H2,1H3,(H,14,15)/t8-,10+/m0/s1