3-azanyl-4-(3-imidazo[2,1-b][1,3]benzothiazol-2-ylphenoxy)-4-oxidanylidene-butanoic acid dihydrobromide

Systemtic Name: 3-azanyl-4-(3-imidazo[2,1-b][1,3]benzothiazol-2-ylphenoxy)-4-oxidanylidene-butanoic acid dihydrobromide Openeye Name: 3-amino-4-(3-imidazo[2,1-b][1,3]benzothiazol-2-ylphenoxy)-4-oxo-butanoic acid dihydrobromide CAS Name: 3-amino-4-[3-(2-imidazo[2,1-b][1,3]benzothiazolyl)phenoxy]-4-oxobutanoic acid dihydrobromide IUPAC Name: 3-amino-4-(3-imidazo[2,1-b][1,3]benzothiazol-2-ylphenoxy)-4-oxobutanoic acid dihydrobromide Traditional Name: 3-amino-4-(3-imidazo[2,1-b][1,3]benzothiazol-2-ylphenoxy)-4-keto-butyric acid dihydrobromide Formula: C19H17Br2N3O4S MolecularWeight: 543.22898

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N3C=C(N=C3S2)C4=CC(=CC=C4)OC(=O)C(CC(=O)O)N.Br.Br

Isomeric SMILES

C1=CC=C2C(=C1)N3C=C(N=C3S2)C4=CC(=CC=C4)OC(=O)C(CC(=O)O)N.Br.Br

InChI

InChI=1S/C19H15N3O4S.2BrH/c20-13(9-17(23)24)18(25)26-12-5-3-4-11(8-12)14-10-22-15-6-1-2-7-16(15)27-19(22)21-14;;/h1-8,10,13H,9,20H2,(H,23,24);2*1H