(2R,4R)-2-[4-(2-azanyl-2-oxidanylidene-ethoxy)-3-methoxy-phenyl]-1,3-thiazolidin-3-ium-4-carboxylate

Systemtic Name: (2R,4R)-2-[4-(2-azanyl-2-oxidanylidene-ethoxy)-3-methoxy-phenyl]-1,3-thiazolidin-3-ium-4-carboxylate Openeye Name: (2R,4R)-2-[4-(2-amino-2-oxo-ethoxy)-3-methoxy-phenyl]thiazolidin-3-ium-4-carboxylate CAS Name: (2R,4R)-2-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]-4-thiazolidin-3-iumcarboxylate IUPAC Name: (2R,4R)-2-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]-1,3-thiazolidin-3-ium-4-carboxylate Traditional Name: (2R,4R)-2-[4-(2-amino-2-keto-ethoxy)-3-methoxy-phenyl]thiazolidin-3-ium-4-carboxylate Formula: C13H16N2O5S MolecularWeight: 312.34154

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2[NH2+]C(CS2)C(=O)[O-])OCC(=O)N

Isomeric SMILES

COC1=C(C=CC(=C1)[C@@H]2[NH2+][C@@H](CS2)C(=O)[O-])OCC(=O)N

InChI

InChI=1S/C13H16N2O5S/c1-19-10-4-7(2-3-9(10)20-5-11(14)16)12-15-8(6-21-12)13(17)18/h2-4,8,12,15H,5-6H2,1H3,(H2,14,16)(H,17,18)/t8-,12+/m0/s1