ethyl 3-oxidanylidene-4-[phenyl-[(3-phenyl-5,6-dihydroimidazo[2,1-b][1,3]thiazol-7-ium-7-yl)carbonyl]amino]butanoate bromide

Systemtic Name: ethyl 3-oxidanylidene-4-[phenyl-[(3-phenyl-5,6-dihydroimidazo[2,1-b][1,3]thiazol-7-ium-7-yl)carbonyl]amino]butanoate bromide Openeye Name: ethyl 3-oxo-4-(N-(3-phenyl-5,6-dihydroimidazo[2,1-b]thiazol-7-ium-7-carbonyl)anilino)butanoate bromide CAS Name: 3-oxo-4-(N-[oxo-(3-phenyl-5,6-dihydroimidazo[2,1-b]thiazol-7-ium-7-yl)methyl]anilino)butanoic acid ethyl ester bromide IUPAC Name: ethyl 3-oxo-4-(N-(3-phenyl-5,6-dihydroimidazo[2,1-b][1,3]thiazol-7-ium-7-carbonyl)anilino)butanoate bromide Traditional Name: 3-keto-4-(N-(3-phenyl-5,6-dihydroimidazo[2,1-b]thiazol-7-ium-7-carbonyl)anilino)butyric acid ethyl ester bromide Formula: C24H24BrN3O4S MolecularWeight: 530.43406

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(=O)CN(C1=CC=CC=C1)C(=O)[N+]2=C3N(CC2)C(=CS3)C4=CC=CC=C4.[Br-]

Isomeric SMILES

CCOC(=O)CC(=O)CN(C1=CC=CC=C1)C(=O)[N+]2=C3N(CC2)C(=CS3)C4=CC=CC=C4.[Br-]

InChI

InChI=1S/C24H24N3O4S.BrH/c1-2-31-22(29)15-20(28)16-27(19-11-7-4-8-12-19)23(30)26-14-13-25-21(17-32-24(25)26)18-9-5-3-6-10-18;/h3-12,17H,2,13-16H2,1H3;1H/q+1;/p-1