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

Systemtic Name: (2R,4R)-2-(3-bromanyl-5-methoxy-4-phenylmethoxy-phenyl)-1,3-thiazolidin-3-ium-4-carboxylate Openeye Name: (2R,4R)-2-(4-benzyloxy-3-bromo-5-methoxy-phenyl)thiazolidin-3-ium-4-carboxylate CAS Name: (2R,4R)-2-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-4-thiazolidin-3-iumcarboxylate IUPAC Name: (2R,4R)-2-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-1,3-thiazolidin-3-ium-4-carboxylate Traditional Name: (2R,4R)-2-(4-benzoxy-3-bromo-5-methoxy-phenyl)thiazolidin-3-ium-4-carboxylate Formula: C18H18BrNO4S MolecularWeight: 424.30882

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C2[NH2+]C(CS2)C(=O)[O-])Br)OCC3=CC=CC=C3

Isomeric SMILES

COC1=C(C(=CC(=C1)[C@@H]2[NH2+][C@@H](CS2)C(=O)[O-])Br)OCC3=CC=CC=C3

InChI

InChI=1S/C18H18BrNO4S/c1-23-15-8-12(17-20-14(10-25-17)18(21)22)7-13(19)16(15)24-9-11-5-3-2-4-6-11/h2-8,14,17,20H,9-10H2,1H3,(H,21,22)/t14-,17+/m0/s1