ethyl 8-bromanyl-4-oxidanylidene-pyrimido[2,1-b][1,3]benzothiazole-3-carboxylate

Systemtic Name: ethyl 8-bromanyl-4-oxidanylidene-pyrimido[2,1-b][1,3]benzothiazole-3-carboxylate Openeye Name: ethyl 8-bromo-4-oxo-pyrimido[2,1-b][1,3]benzothiazole-3-carboxylate CAS Name: 8-bromo-4-oxo-3-pyrimido[2,1-b][1,3]benzothiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 8-bromo-4-oxopyrimido[2,1-b][1,3]benzothiazole-3-carboxylate Traditional Name: 8-bromo-4-keto-pyrimido[2,1-b][1,3]benzothiazole-3-carboxylic acid ethyl ester Formula: C13H9BrN2O3S MolecularWeight: 353.19116

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C2N(C1=O)C3=C(S2)C=C(C=C3)Br

Isomeric SMILES

CCOC(=O)C1=CN=C2N(C1=O)C3=C(S2)C=C(C=C3)Br

InChI

InChI=1S/C13H9BrN2O3S/c1-2-19-12(18)8-6-15-13-16(11(8)17)9-4-3-7(14)5-10(9)20-13/h3-6H,2H2,1H3