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

Systemtic Name: ethyl 4-oxidanylidene-8-pentoxy-pyrimido[2,1-b][1,3]benzothiazole-3-carboxylate Openeye Name: ethyl 4-oxo-8-pentoxy-pyrimido[2,1-b][1,3]benzothiazole-3-carboxylate CAS Name: 4-oxo-8-pentoxy-3-pyrimido[2,1-b][1,3]benzothiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-oxo-8-pentoxypyrimido[2,1-b][1,3]benzothiazole-3-carboxylate Traditional Name: 8-amoxy-4-keto-pyrimido[2,1-b][1,3]benzothiazole-3-carboxylic acid ethyl ester Formula: C18H20N2O4S MolecularWeight: 360.4274

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC2=C(C=C1)N3C(=O)C(=CN=C3S2)C(=O)OCC

Isomeric SMILES

CCCCCOC1=CC2=C(C=C1)N3C(=O)C(=CN=C3S2)C(=O)OCC

InChI

InChI=1S/C18H20N2O4S/c1-3-5-6-9-24-12-7-8-14-15(10-12)25-18-19-11-13(16(21)20(14)18)17(22)23-4-2/h7-8,10-11H,3-6,9H2,1-2H3