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

Systemtic Name: (2S,4R)-2-[3-bromanyl-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-1,3-thiazolidin-3-ium-4-carboxylate Openeye Name: (2S,4R)-2-[3-bromo-5-methoxy-4-(p-tolylmethoxy)phenyl]thiazolidin-3-ium-4-carboxylate CAS Name: (2S,4R)-2-[3-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-4-thiazolidin-3-iumcarboxylate IUPAC Name: (2S,4R)-2-[3-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-1,3-thiazolidin-3-ium-4-carboxylate Traditional Name: (2S,4R)-2-[3-bromo-5-methoxy-4-(4-methylbenzyl)oxy-phenyl]thiazolidin-3-ium-4-carboxylate Formula: C19H20BrNO4S MolecularWeight: 438.3354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)COC2=C(C=C(C=C2Br)C3[NH2+]C(CS3)C(=O)[O-])OC

Isomeric SMILES

CC1=CC=C(C=C1)COC2=C(C=C(C=C2Br)[C@H]3[NH2+][C@@H](CS3)C(=O)[O-])OC

InChI

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