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

Systemtic Name: ethyl 4-oxidanylidene-8-sulfamoyl-pyrimido[2,1-b][1,3]benzothiazole-3-carboxylate Openeye Name: ethyl 4-oxo-8-sulfamoyl-pyrimido[2,1-b][1,3]benzothiazole-3-carboxylate CAS Name: 4-oxo-8-sulfamoyl-3-pyrimido[2,1-b][1,3]benzothiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-oxo-8-sulfamoylpyrimido[2,1-b][1,3]benzothiazole-3-carboxylate Traditional Name: 4-keto-8-sulfamoyl-pyrimido[2,1-b][1,3]benzothiazole-3-carboxylic acid ethyl ester Formula: C13H11N3O5S2 MolecularWeight: 353.37354

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C2N(C1=O)C3=C(S2)C=C(C=C3)S(=O)(=O)N

Isomeric SMILES

CCOC(=O)C1=CN=C2N(C1=O)C3=C(S2)C=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C13H11N3O5S2/c1-2-21-12(18)8-6-15-13-16(11(8)17)9-4-3-7(23(14,19)20)5-10(9)22-13/h3-6H,2H2,1H3,(H2,14,19,20)