ethyl 7-nitro-4-oxidanylidene-pyrimido[2,1-b][1,3]benzothiazole-3-carboxylate

Systemtic Name: ethyl 7-nitro-4-oxidanylidene-pyrimido[2,1-b][1,3]benzothiazole-3-carboxylate Openeye Name: ethyl 7-nitro-4-oxo-pyrimido[2,1-b][1,3]benzothiazole-3-carboxylate CAS Name: 7-nitro-4-oxo-3-pyrimido[2,1-b][1,3]benzothiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 7-nitro-4-oxopyrimido[2,1-b][1,3]benzothiazole-3-carboxylate Traditional Name: 4-keto-7-nitro-pyrimido[2,1-b][1,3]benzothiazole-3-carboxylic acid ethyl ester Formula: C13H9N3O5S MolecularWeight: 319.29266

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C2N(C1=O)C3=C(S2)C=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CN=C2N(C1=O)C3=C(S2)C=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C13H9N3O5S/c1-2-21-12(18)8-6-14-13-15(11(8)17)9-5-7(16(19)20)3-4-10(9)22-13/h3-6H,2H2,1H3