(2S,4S)-2-[2-(cyanomethoxy)phenyl]-1,3-thiazolidin-3-ium-4-carboxylate

Systemtic Name: (2S,4S)-2-[2-(cyanomethoxy)phenyl]-1,3-thiazolidin-3-ium-4-carboxylate Openeye Name: (2S,4S)-2-[2-(cyanomethoxy)phenyl]thiazolidin-3-ium-4-carboxylate CAS Name: (2S,4S)-2-[2-(cyanomethoxy)phenyl]-4-thiazolidin-3-iumcarboxylate IUPAC Name: (2S,4S)-2-[2-(cyanomethoxy)phenyl]-1,3-thiazolidin-3-ium-4-carboxylate Traditional Name: (2S,4S)-2-[2-(cyanomethoxy)phenyl]thiazolidin-3-ium-4-carboxylate Formula: C12H12N2O3S MolecularWeight: 264.30028

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Descriptors Computed from Structure

Canonical SMILES:

C1C([NH2+]C(S1)C2=CC=CC=C2OCC#N)C(=O)[O-]

Isomeric SMILES

C1[C@@H]([NH2+][C@@H](S1)C2=CC=CC=C2OCC#N)C(=O)[O-]

InChI

InChI=1S/C12H12N2O3S/c13-5-6-17-10-4-2-1-3-8(10)11-14-9(7-18-11)12(15)16/h1-4,9,11,14H,6-7H2,(H,15,16)/t9-,11+/m1/s1