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

Systemtic Name: (2S,4S)-2-[3-ethoxy-4-[(2-methylphenyl)methoxy]phenyl]-1,3-thiazolidin-3-ium-4-carboxylate Openeye Name: (2S,4S)-2-[3-ethoxy-4-(o-tolylmethoxy)phenyl]thiazolidin-3-ium-4-carboxylate CAS Name: (2S,4S)-2-[3-ethoxy-4-[(2-methylphenyl)methoxy]phenyl]-4-thiazolidin-3-iumcarboxylate IUPAC Name: (2S,4S)-2-[3-ethoxy-4-[(2-methylphenyl)methoxy]phenyl]-1,3-thiazolidin-3-ium-4-carboxylate Traditional Name: (2S,4S)-2-[3-ethoxy-4-(2-methylbenzyl)oxy-phenyl]thiazolidin-3-ium-4-carboxylate Formula: C20H23NO4S MolecularWeight: 373.46592

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C2[NH2+]C(CS2)C(=O)[O-])OCC3=CC=CC=C3C

Isomeric SMILES

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

InChI

InChI=1S/C20H23NO4S/c1-3-24-18-10-14(19-21-16(12-26-19)20(22)23)8-9-17(18)25-11-15-7-5-4-6-13(15)2/h4-10,16,19,21H,3,11-12H2,1-2H3,(H,22,23)/t16-,19+/m1/s1