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

Systemtic Name: (2R,4R)-2-(3-bromanyl-4-methoxy-phenyl)-1,3-thiazolidin-3-ium-4-carboxylate Openeye Name: (2R,4R)-2-(3-bromo-4-methoxy-phenyl)thiazolidin-3-ium-4-carboxylate CAS Name: (2R,4R)-2-(3-bromo-4-methoxyphenyl)-4-thiazolidin-3-iumcarboxylate IUPAC Name: (2R,4R)-2-(3-bromo-4-methoxyphenyl)-1,3-thiazolidin-3-ium-4-carboxylate Traditional Name: (2R,4R)-2-(3-bromo-4-methoxy-phenyl)thiazolidin-3-ium-4-carboxylate Formula: C11H12BrNO3S MolecularWeight: 318.18688

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H12BrNO3S/c1-16-9-3-2-6(4-7(9)12)10-13-8(5-17-10)11(14)15/h2-4,8,10,13H,5H2,1H3,(H,14,15)/t8-,10+/m0/s1