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

Systemtic Name: methyl 4-oxidanylidene-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-2-carboxylate Openeye Name: methyl 4-oxo-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-2-carboxylate CAS Name: 4-oxo-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-2-carboxylic acid methyl ester IUPAC Name: methyl 4-oxo-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-2-carboxylate Traditional Name: 4-keto-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-2-carboxylic acid methyl ester Formula: C12H9N2O3S+ MolecularWeight: 261.27646

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=O)[N+]2=C(N1)SC3=CC=CC=C32

Isomeric SMILES

COC(=O)C1=CC(=O)[N+]2=C(N1)SC3=CC=CC=C32

InChI

InChI=1S/C12H8N2O3S/c1-17-11(16)7-6-10(15)14-8-4-2-3-5-9(8)18-12(14)13-7/h2-6H,1H3/p+1