ethyl 4-oxidanylidene-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-3-carboxylate

Systemtic Name: ethyl 4-oxidanylidene-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-3-carboxylate Openeye Name: ethyl 4-oxo-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-3-carboxylate CAS Name: 4-oxo-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-oxo-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-3-carboxylate Traditional Name: 4-keto-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-3-carboxylic acid ethyl ester Formula: C13H11N2O3S+ MolecularWeight: 275.30304

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CNC2=[N+](C1=O)C3=CC=CC=C3S2

Isomeric SMILES

CCOC(=O)C1=CNC2=[N+](C1=O)C3=CC=CC=C3S2

InChI

InChI=1S/C13H10N2O3S/c1-2-18-12(17)8-7-14-13-15(11(8)16)9-5-3-4-6-10(9)19-13/h3-7H,2H2,1H3/p+1