(4-oxidanylidenepyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl 5-nitrofuran-2-carboxylate

Systemtic Name: (4-oxidanylidenepyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl 5-nitrofuran-2-carboxylate Openeye Name: (4-oxopyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl 5-nitrofuran-2-carboxylate CAS Name: 5-nitro-2-furancarboxylic acid (4-oxo-2-pyrimido[2,1-b][1,3]benzothiazolyl)methyl ester IUPAC Name: (4-oxopyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl 5-nitrofuran-2-carboxylate Traditional Name: 5-nitrofuran-2-carboxylic acid (4-ketopyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl ester Formula: C16H9N3O6S MolecularWeight: 371.32416

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N3C(=O)C=C(N=C3S2)COC(=O)C4=CC=C(O4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N3C(=O)C=C(N=C3S2)COC(=O)C4=CC=C(O4)[N+](=O)[O-]

InChI

InChI=1S/C16H9N3O6S/c20-13-7-9(8-24-15(21)11-5-6-14(25-11)19(22)23)17-16-18(13)10-3-1-2-4-12(10)26-16/h1-7H,8H2