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

Systemtic Name: (2S,4S)-2-[4-(2-azanyl-2-oxidanylidene-ethoxy)phenyl]-1,3-thiazolidin-3-ium-4-carboxylate Openeye Name: (2S,4S)-2-[4-(2-amino-2-oxo-ethoxy)phenyl]thiazolidin-3-ium-4-carboxylate CAS Name: (2S,4S)-2-[4-(2-amino-2-oxoethoxy)phenyl]-4-thiazolidin-3-iumcarboxylate IUPAC Name: (2S,4S)-2-[4-(2-amino-2-oxoethoxy)phenyl]-1,3-thiazolidin-3-ium-4-carboxylate Traditional Name: (2S,4S)-2-[4-(2-amino-2-keto-ethoxy)phenyl]thiazolidin-3-ium-4-carboxylate Formula: C12H14N2O4S MolecularWeight: 282.31556

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14N2O4S/c13-10(15)5-18-8-3-1-7(2-4-8)11-14-9(6-19-11)12(16)17/h1-4,9,11,14H,5-6H2,(H2,13,15)(H,16,17)/t9-,11+/m1/s1