(2S,4R)-2-(3,5-dimethyl-4-oxidanyl-phenyl)-1,3-thiazolidin-3-ium-4-carboxylate

Systemtic Name: (2S,4R)-2-(3,5-dimethyl-4-oxidanyl-phenyl)-1,3-thiazolidin-3-ium-4-carboxylate Openeye Name: (2S,4R)-2-(4-hydroxy-3,5-dimethyl-phenyl)thiazolidin-3-ium-4-carboxylate CAS Name: (2S,4R)-2-(4-hydroxy-3,5-dimethylphenyl)-4-thiazolidin-3-iumcarboxylate IUPAC Name: (2S,4R)-2-(4-hydroxy-3,5-dimethylphenyl)-1,3-thiazolidin-3-ium-4-carboxylate Traditional Name: (2S,4R)-2-(4-hydroxy-3,5-dimethyl-phenyl)thiazolidin-3-ium-4-carboxylate Formula: C12H15NO3S MolecularWeight: 253.3174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1O)C)C2[NH2+]C(CS2)C(=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1O)C)[C@H]2[NH2+][C@@H](CS2)C(=O)[O-]

InChI

InChI=1S/C12H15NO3S/c1-6-3-8(4-7(2)10(6)14)11-13-9(5-17-11)12(15)16/h3-4,9,11,13-14H,5H2,1-2H3,(H,15,16)/t9-,11-/m0/s1