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

Systemtic Name: (4-oxidanylidene-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-2-yl)methyl 4-oxidanylidenechromene-2-carboxylate Openeye Name: (4-oxo-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-2-yl)methyl 4-oxochromene-2-carboxylate CAS Name: 4-oxo-1-benzopyran-2-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 4-oxochromene-2-carboxylate Traditional Name: 4-ketochromene-2-carboxylic acid (4-keto-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-2-yl)methyl ester Formula: C21H13N2O5S+ MolecularWeight: 405.40332

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C=C(O2)C(=O)OCC3=CC(=O)[N+]4=C(N3)SC5=CC=CC=C54

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C=C(O2)C(=O)OCC3=CC(=O)[N+]4=C(N3)SC5=CC=CC=C54

InChI

InChI=1S/C21H12N2O5S/c24-15-10-17(28-16-7-3-1-5-13(15)16)20(26)27-11-12-9-19(25)23-14-6-2-4-8-18(14)29-21(23)22-12/h1-10H,11H2/p+1