(2S,4R)-2-[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]-1,3-thiazolidin-3-ium-4-carboxylate

Systemtic Name: (2S,4R)-2-[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]-1,3-thiazolidin-3-ium-4-carboxylate Openeye Name: (2S,4R)-2-[3-methoxy-4-(1-naphthylmethoxy)phenyl]thiazolidin-3-ium-4-carboxylate CAS Name: (2S,4R)-2-[3-methoxy-4-(1-naphthalenylmethoxy)phenyl]-4-thiazolidin-3-iumcarboxylate IUPAC Name: (2S,4R)-2-[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]-1,3-thiazolidin-3-ium-4-carboxylate Traditional Name: (2S,4R)-2-[3-methoxy-4-(1-naphthylmethoxy)phenyl]thiazolidin-3-ium-4-carboxylate Formula: C22H21NO4S MolecularWeight: 395.47144

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2[NH2+]C(CS2)C(=O)[O-])OCC3=CC=CC4=CC=CC=C43

Isomeric SMILES

COC1=C(C=CC(=C1)[C@H]2[NH2+][C@@H](CS2)C(=O)[O-])OCC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C22H21NO4S/c1-26-20-11-15(21-23-18(13-28-21)22(24)25)9-10-19(20)27-12-16-7-4-6-14-5-2-3-8-17(14)16/h2-11,18,21,23H,12-13H2,1H3,(H,24,25)/t18-,21-/m0/s1