4-(1,3-benzothiazol-2-ylamino)-4-oxidanylidene-but-2-enoic acid; zinc

Systemtic Name: 4-(1,3-benzothiazol-2-ylamino)-4-oxidanylidene-but-2-enoic acid; zinc Openeye Name: 4-(1,3-benzothiazol-2-ylamino)-4-oxo-but-2-enoic acid; zinc CAS Name: 4-(1,3-benzothiazol-2-ylamino)-4-oxo-2-butenoic acid; zinc IUPAC Name: 4-(1,3-benzothiazol-2-ylamino)-4-oxobut-2-enoic acid; zinc Traditional Name: 4-(1,3-benzothiazol-2-ylamino)-4-keto-but-2-enoic acid; zinc Formula: C22H16N4O6S2Zn MolecularWeight: 561.92464

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C11H8N2O3S.Zn/c2*14-9(5-6-10(15)16)13-11-12-7-3-1-2-4-8(7)17-11;/h2*1-6H,(H,15,16)(H,12,13,14);