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

Systemtic Name: (2R,4R)-2-(3-bromanyl-5-ethoxy-4-phenylmethoxy-phenyl)-1,3-thiazolidin-3-ium-4-carboxylate Openeye Name: (2R,4R)-2-(4-benzyloxy-3-bromo-5-ethoxy-phenyl)thiazolidin-3-ium-4-carboxylate CAS Name: (2R,4R)-2-(3-bromo-5-ethoxy-4-phenylmethoxyphenyl)-4-thiazolidin-3-iumcarboxylate IUPAC Name: (2R,4R)-2-(3-bromo-5-ethoxy-4-phenylmethoxyphenyl)-1,3-thiazolidin-3-ium-4-carboxylate Traditional Name: (2R,4R)-2-(4-benzoxy-3-bromo-5-ethoxy-phenyl)thiazolidin-3-ium-4-carboxylate Formula: C19H20BrNO4S MolecularWeight: 438.3354

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C2[NH2+]C(CS2)C(=O)[O-])Br)OCC3=CC=CC=C3

Isomeric SMILES

CCOC1=C(C(=CC(=C1)[C@@H]2[NH2+][C@@H](CS2)C(=O)[O-])Br)OCC3=CC=CC=C3

InChI

InChI=1S/C19H20BrNO4S/c1-2-24-16-9-13(18-21-15(11-26-18)19(22)23)8-14(20)17(16)25-10-12-6-4-3-5-7-12/h3-9,15,18,21H,2,10-11H2,1H3,(H,22,23)/t15-,18+/m0/s1