(2S,4R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazolidin-3-ium-4-carboxylate

Systemtic Name: (2S,4R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazolidin-3-ium-4-carboxylate Openeye Name: (2S,4R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)thiazolidin-3-ium-4-carboxylate CAS Name: (2S,4R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-thiazolidin-3-iumcarboxylate IUPAC Name: (2S,4R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazolidin-3-ium-4-carboxylate Traditional Name: (2S,4R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)thiazolidin-3-ium-4-carboxylate Formula: C12H13NO4S MolecularWeight: 267.30092

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)C3[NH2+]C(CS3)C(=O)[O-]

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)[C@H]3[NH2+][C@@H](CS3)C(=O)[O-]

InChI

InChI=1S/C12H13NO4S/c14-12(15)8-6-18-11(13-8)7-1-2-9-10(5-7)17-4-3-16-9/h1-2,5,8,11,13H,3-4,6H2,(H,14,15)/t8-,11-/m0/s1