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

Systemtic Name: (2S,4R)-2-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)-1,3-thiazolidin-3-ium-4-carboxylate Openeye Name: (2S,4R)-2-(3-bromo-4-hydroxy-5-methoxy-phenyl)thiazolidin-3-ium-4-carboxylate CAS Name: (2S,4R)-2-(3-bromo-4-hydroxy-5-methoxyphenyl)-4-thiazolidin-3-iumcarboxylate IUPAC Name: (2S,4R)-2-(3-bromo-4-hydroxy-5-methoxyphenyl)-1,3-thiazolidin-3-ium-4-carboxylate Traditional Name: (2S,4R)-2-(3-bromo-4-hydroxy-5-methoxy-phenyl)thiazolidin-3-ium-4-carboxylate Formula: C11H12BrNO4S MolecularWeight: 334.18628

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C2[NH2+]C(CS2)C(=O)[O-])Br)O

Isomeric SMILES

COC1=C(C(=CC(=C1)[C@H]2[NH2+][C@@H](CS2)C(=O)[O-])Br)O

InChI

InChI=1S/C11H12BrNO4S/c1-17-8-3-5(2-6(12)9(8)14)10-13-7(4-18-10)11(15)16/h2-3,7,10,13-14H,4H2,1H3,(H,15,16)/t7-,10-/m0/s1