(2R,4R)-2-[3-[(2-ethoxycarbonylphenoxy)methyl]-4-methoxy-phenyl]-1,3-thiazolidin-3-ium-4-carboxylate

Systemtic Name: (2R,4R)-2-[3-[(2-ethoxycarbonylphenoxy)methyl]-4-methoxy-phenyl]-1,3-thiazolidin-3-ium-4-carboxylate Openeye Name: (2R,4R)-2-[3-[(2-ethoxycarbonylphenoxy)methyl]-4-methoxy-phenyl]thiazolidin-3-ium-4-carboxylate CAS Name: (2R,4R)-2-[3-[(2-ethoxycarbonylphenoxy)methyl]-4-methoxyphenyl]-4-thiazolidin-3-iumcarboxylate IUPAC Name: (2R,4R)-2-[3-[(2-ethoxycarbonylphenoxy)methyl]-4-methoxyphenyl]-1,3-thiazolidin-3-ium-4-carboxylate Traditional Name: (2R,4R)-2-[3-[(2-carbethoxyphenoxy)methyl]-4-methoxy-phenyl]thiazolidin-3-ium-4-carboxylate Formula: C21H23NO6S MolecularWeight: 417.47542

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1OCC2=C(C=CC(=C2)C3[NH2+]C(CS3)C(=O)[O-])OC

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1OCC2=C(C=CC(=C2)[C@@H]3[NH2+][C@@H](CS3)C(=O)[O-])OC

InChI

InChI=1S/C21H23NO6S/c1-3-27-21(25)15-6-4-5-7-18(15)28-11-14-10-13(8-9-17(14)26-2)19-22-16(12-29-19)20(23)24/h4-10,16,19,22H,3,11-12H2,1-2H3,(H,23,24)/t16-,19+/m0/s1