(2S,4R)-2-(3-bromanyl-5-ethoxy-4-oxidanyl-phenyl)-1,3-thiazolidin-3-ium-4-carboxylate

Systemtic Name: (2S,4R)-2-(3-bromanyl-5-ethoxy-4-oxidanyl-phenyl)-1,3-thiazolidin-3-ium-4-carboxylate Openeye Name: (2S,4R)-2-(3-bromo-5-ethoxy-4-hydroxy-phenyl)thiazolidin-3-ium-4-carboxylate CAS Name: (2S,4R)-2-(3-bromo-5-ethoxy-4-hydroxyphenyl)-4-thiazolidin-3-iumcarboxylate IUPAC Name: (2S,4R)-2-(3-bromo-5-ethoxy-4-hydroxyphenyl)-1,3-thiazolidin-3-ium-4-carboxylate Traditional Name: (2S,4R)-2-(3-bromo-5-ethoxy-4-hydroxy-phenyl)thiazolidin-3-ium-4-carboxylate Formula: C12H14BrNO4S MolecularWeight: 348.21286

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14BrNO4S/c1-2-18-9-4-6(3-7(13)10(9)15)11-14-8(5-19-11)12(16)17/h3-4,8,11,14-15H,2,5H2,1H3,(H,16,17)/t8-,11-/m0/s1