sodium (2E,4S)-2-(6-oxidanylidene-1,3-benzothiazol-2-ylidene)-1,3-thiazolidine-4-carboxylate hydrate

Systemtic Name: sodium (2E,4S)-2-(6-oxidanylidene-1,3-benzothiazol-2-ylidene)-1,3-thiazolidine-4-carboxylate hydrate Openeye Name: sodium (2E,4S)-2-(6-oxo-1,3-benzothiazol-2-ylidene)thiazolidine-4-carboxylate hydrate CAS Name: sodium (2E,4S)-2-(6-oxo-1,3-benzothiazol-2-ylidene)-4-thiazolidinecarboxylate hydrate IUPAC Name: sodium (2E,4S)-2-(6-oxo-1,3-benzothiazol-2-ylidene)-1,3-thiazolidine-4-carboxylate hydrate Traditional Name: sodium (2E,4S)-2-(6-keto-1,3-benzothiazol-2-ylidene)thiazolidine-4-carboxylate hydrate Formula: C11H9N2NaO4S2 MolecularWeight: 320.31993

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Descriptors Computed from Structure

Canonical SMILES:

C1C(NC(=C2N=C3C=CC(=O)C=C3S2)S1)C(=O)[O-].O.[Na+]

Isomeric SMILES

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

InChI

InChI=1S/C11H8N2O3S2.Na.H2O/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);;1H2/q;+1;/p-1/b10-9+;;/t7-;;/m1../s1