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

Systemtic Name: (2S,4R)-2-[3-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]-1,3-thiazolidin-3-ium-4-carboxylate Openeye Name: (2S,4R)-2-[3-ethoxy-4-(1-naphthylmethoxy)phenyl]thiazolidin-3-ium-4-carboxylate CAS Name: (2S,4R)-2-[3-ethoxy-4-(1-naphthalenylmethoxy)phenyl]-4-thiazolidin-3-iumcarboxylate IUPAC Name: (2S,4R)-2-[3-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]-1,3-thiazolidin-3-ium-4-carboxylate Traditional Name: (2S,4R)-2-[3-ethoxy-4-(1-naphthylmethoxy)phenyl]thiazolidin-3-ium-4-carboxylate Formula: C23H23NO4S MolecularWeight: 409.49802

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C2[NH2+]C(CS2)C(=O)[O-])OCC3=CC=CC4=CC=CC=C43

Isomeric SMILES

CCOC1=C(C=CC(=C1)[C@H]2[NH2+][C@@H](CS2)C(=O)[O-])OCC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C23H23NO4S/c1-2-27-21-12-16(22-24-19(14-29-22)23(25)26)10-11-20(21)28-13-17-8-5-7-15-6-3-4-9-18(15)17/h3-12,19,22,24H,2,13-14H2,1H3,(H,25,26)/t19-,22-/m0/s1