(2Z,4S)-2-[(4-imidazol-1-ylphenyl)methylidene]-1,3-thiazolidin-3-ium-4-carboxylate

Systemtic Name: (2Z,4S)-2-[(4-imidazol-1-ylphenyl)methylidene]-1,3-thiazolidin-3-ium-4-carboxylate Openeye Name: (2Z,4S)-2-[(4-imidazol-1-ylphenyl)methylene]thiazolidin-3-ium-4-carboxylate CAS Name: (2Z,4S)-2-[[4-(1-imidazolyl)phenyl]methylidene]-4-thiazolidin-3-iumcarboxylate IUPAC Name: (2Z,4S)-2-[(4-imidazol-1-ylphenyl)methylidene]-1,3-thiazolidin-3-ium-4-carboxylate Traditional Name: (2Z,4S)-2-(4-imidazol-1-ylbenzylidene)thiazolidin-3-ium-4-carboxylate Formula: C14H13N3O2S MolecularWeight: 287.33692

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C([NH2+]C(=CC2=CC=C(C=C2)N3C=CN=C3)S1)C(=O)[O-]

Isomeric SMILES

C1[C@@H]([NH2+]/C(=C/C2=CC=C(C=C2)N3C=CN=C3)/S1)C(=O)[O-]

InChI

InChI=1S/C14H13N3O2S/c18-14(19)12-8-20-13(16-12)7-10-1-3-11(4-2-10)17-6-5-15-9-17/h1-7,9,12,16H,8H2,(H,18,19)/b13-7-/t12-/m1/s1