(4-oxidanylidene-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-2-yl)methyl 9H-xanthene-9-carboxylate

Systemtic Name: (4-oxidanylidene-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-2-yl)methyl 9H-xanthene-9-carboxylate Openeye Name: (4-oxo-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-2-yl)methyl 9H-xanthene-9-carboxylate CAS Name: 9H-xanthene-9-carboxylic acid (4-oxo-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-2-yl)methyl ester IUPAC Name: (4-oxo-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-2-yl)methyl 9H-xanthene-9-carboxylate Traditional Name: 9H-xanthene-9-carboxylic acid (4-keto-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-2-yl)methyl ester Formula: C25H17N2O4S+ MolecularWeight: 441.47848

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(C3=CC=CC=C3O2)C(=O)OCC4=CC(=O)[N+]5=C(N4)SC6=CC=CC=C65

Isomeric SMILES

C1=CC=C2C(=C1)C(C3=CC=CC=C3O2)C(=O)OCC4=CC(=O)[N+]5=C(N4)SC6=CC=CC=C65

InChI

InChI=1S/C25H16N2O4S/c28-22-13-15(26-25-27(22)18-9-3-6-12-21(18)32-25)14-30-24(29)23-16-7-1-4-10-19(16)31-20-11-5-2-8-17(20)23/h1-13,23H,14H2/p+1