(2R,4R)-2-[3-bromanyl-5-ethoxy-4-[(2-methylphenyl)methoxy]phenyl]-1,3-thiazolidin-3-ium-4-carboxylate

Systemtic Name: (2R,4R)-2-[3-bromanyl-5-ethoxy-4-[(2-methylphenyl)methoxy]phenyl]-1,3-thiazolidin-3-ium-4-carboxylate Openeye Name: (2R,4R)-2-[3-bromo-5-ethoxy-4-(o-tolylmethoxy)phenyl]thiazolidin-3-ium-4-carboxylate CAS Name: (2R,4R)-2-[3-bromo-5-ethoxy-4-[(2-methylphenyl)methoxy]phenyl]-4-thiazolidin-3-iumcarboxylate IUPAC Name: (2R,4R)-2-[3-bromo-5-ethoxy-4-[(2-methylphenyl)methoxy]phenyl]-1,3-thiazolidin-3-ium-4-carboxylate Traditional Name: (2R,4R)-2-[3-bromo-5-ethoxy-4-(2-methylbenzyl)oxy-phenyl]thiazolidin-3-ium-4-carboxylate Formula: C20H22BrNO4S MolecularWeight: 452.36198

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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=C3C

Isomeric SMILES

CCOC1=C(C(=CC(=C1)[C@@H]2[NH2+][C@@H](CS2)C(=O)[O-])Br)OCC3=CC=CC=C3C

InChI

InChI=1S/C20H22BrNO4S/c1-3-25-17-9-14(19-22-16(11-27-19)20(23)24)8-15(21)18(17)26-10-13-7-5-4-6-12(13)2/h4-9,16,19,22H,3,10-11H2,1-2H3,(H,23,24)/t16-,19+/m0/s1