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

Systemtic Name: ethyl 8-butan-2-yloxy-4-oxidanylidene-pyrimido[2,1-b][1,3]benzothiazole-3-carboxylate Openeye Name: ethyl 4-oxo-8-sec-butoxy-pyrimido[2,1-b][1,3]benzothiazole-3-carboxylate CAS Name: 8-butan-2-yloxy-4-oxo-3-pyrimido[2,1-b][1,3]benzothiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 8-butan-2-yloxy-4-oxopyrimido[2,1-b][1,3]benzothiazole-3-carboxylate Traditional Name: 4-keto-8-sec-butoxy-pyrimido[2,1-b][1,3]benzothiazole-3-carboxylic acid ethyl ester Formula: C17H18N2O4S MolecularWeight: 346.40082

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC1=CC2=C(C=C1)N3C(=O)C(=CN=C3S2)C(=O)OCC

Isomeric SMILES

CCC(C)OC1=CC2=C(C=C1)N3C(=O)C(=CN=C3S2)C(=O)OCC

InChI

InChI=1S/C17H18N2O4S/c1-4-10(3)23-11-6-7-13-14(8-11)24-17-18-9-12(15(20)19(13)17)16(21)22-5-2/h6-10H,4-5H2,1-3H3