(2R,4S)-2-(4-bromanylthiophen-2-yl)-1,3-thiazolidin-3-ium-4-carboxylate

Systemtic Name: (2R,4S)-2-(4-bromanylthiophen-2-yl)-1,3-thiazolidin-3-ium-4-carboxylate Openeye Name: (2R,4S)-2-(4-bromo-2-thienyl)thiazolidin-3-ium-4-carboxylate CAS Name: (2R,4S)-2-(4-bromo-2-thiophenyl)-4-thiazolidin-3-iumcarboxylate IUPAC Name: (2R,4S)-2-(4-bromothiophen-2-yl)-1,3-thiazolidin-3-ium-4-carboxylate Traditional Name: (2R,4S)-2-(4-bromo-2-thienyl)thiazolidin-3-ium-4-carboxylate Formula: C8H8BrNO2S2 MolecularWeight: 294.18862

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C([NH2+]C(S1)C2=CC(=CS2)Br)C(=O)[O-]

Isomeric SMILES

C1[C@@H]([NH2+][C@H](S1)C2=CC(=CS2)Br)C(=O)[O-]

InChI

InChI=1S/C8H8BrNO2S2/c9-4-1-6(13-2-4)7-10-5(3-14-7)8(11)12/h1-2,5,7,10H,3H2,(H,11,12)/t5-,7-/m1/s1