(2R,4R)-2-(3-ethoxy-4-oxidanyl-phenyl)-1,3-thiazolidin-3-ium-4-carboxylate

Systemtic Name: (2R,4R)-2-(3-ethoxy-4-oxidanyl-phenyl)-1,3-thiazolidin-3-ium-4-carboxylate Openeye Name: (2R,4R)-2-(3-ethoxy-4-hydroxy-phenyl)thiazolidin-3-ium-4-carboxylate CAS Name: (2R,4R)-2-(3-ethoxy-4-hydroxyphenyl)-4-thiazolidin-3-iumcarboxylate IUPAC Name: (2R,4R)-2-(3-ethoxy-4-hydroxyphenyl)-1,3-thiazolidin-3-ium-4-carboxylate Traditional Name: (2R,4R)-2-(3-ethoxy-4-hydroxy-phenyl)thiazolidin-3-ium-4-carboxylate Formula: C12H15NO4S MolecularWeight: 269.3168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C2[NH2+]C(CS2)C(=O)[O-])O

Isomeric SMILES

CCOC1=C(C=CC(=C1)[C@@H]2[NH2+][C@@H](CS2)C(=O)[O-])O

InChI

InChI=1S/C12H15NO4S/c1-2-17-10-5-7(3-4-9(10)14)11-13-8(6-18-11)12(15)16/h3-5,8,11,13-14H,2,6H2,1H3,(H,15,16)/t8-,11+/m0/s1