(2E,4S)-2-(6-oxidanylidene-1,3-benzothiazol-2-ylidene)-1,3-thiazolidin-3-ium-4-carboxylate

Systemtic Name: (2E,4S)-2-(6-oxidanylidene-1,3-benzothiazol-2-ylidene)-1,3-thiazolidin-3-ium-4-carboxylate Openeye Name: (2E,4S)-2-(6-oxo-1,3-benzothiazol-2-ylidene)thiazolidin-3-ium-4-carboxylate CAS Name: (2E,4S)-2-(6-oxo-1,3-benzothiazol-2-ylidene)-4-thiazolidin-3-iumcarboxylate IUPAC Name: (2E,4S)-2-(6-oxo-1,3-benzothiazol-2-ylidene)-1,3-thiazolidin-3-ium-4-carboxylate Traditional Name: (2E,4S)-2-(6-keto-1,3-benzothiazol-2-ylidene)thiazolidin-3-ium-4-carboxylate Formula: C11H8N2O3S2 MolecularWeight: 280.32282

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Descriptors Computed from Structure

Canonical SMILES:

C1C([NH2+]C(=C2N=C3C=CC(=O)C=C3S2)S1)C(=O)[O-]

Isomeric SMILES

C1[C@@H]([NH2+]/C(=C\2/N=C3C=CC(=O)C=C3S2)/S1)C(=O)[O-]

InChI

InChI=1S/C11H8N2O3S2/c14-5-1-2-6-8(3-5)18-10(12-6)9-13-7(4-17-9)11(15)16/h1-3,7,13H,4H2,(H,15,16)/b10-9+/t7-/m1/s1