3-(1,3-benzothiazol-2-ylamino)-3-oxidanylidene-propanoic acid; zinc

Systemtic Name: 3-(1,3-benzothiazol-2-ylamino)-3-oxidanylidene-propanoic acid; zinc Openeye Name: 3-(1,3-benzothiazol-2-ylamino)-3-oxo-propanoic acid; zinc CAS Name: 3-(1,3-benzothiazol-2-ylamino)-3-oxopropanoic acid; zinc IUPAC Name: 3-(1,3-benzothiazol-2-ylamino)-3-oxopropanoic acid; zinc Traditional Name: 3-(1,3-benzothiazol-2-ylamino)-3-keto-propionic acid; zinc Formula: C20H16N4O6S2Zn MolecularWeight: 537.90324

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)NC(=O)CC(=O)O.C1=CC=C2C(=C1)N=C(S2)NC(=O)CC(=O)O.[Zn]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)NC(=O)CC(=O)O.C1=CC=C2C(=C1)N=C(S2)NC(=O)CC(=O)O.[Zn]

InChI

InChI=1S/2C10H8N2O3S.Zn/c2*13-8(5-9(14)15)12-10-11-6-3-1-2-4-7(6)16-10;/h2*1-4H,5H2,(H,14,15)(H,11,12,13);