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

Systemtic Name: ethyl 8-butoxy-4-oxidanylidene-pyrimido[2,1-b][1,3]benzothiazole-3-carboxylate Openeye Name: ethyl 8-butoxy-4-oxo-pyrimido[2,1-b][1,3]benzothiazole-3-carboxylate CAS Name: 8-butoxy-4-oxo-3-pyrimido[2,1-b][1,3]benzothiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 8-butoxy-4-oxopyrimido[2,1-b][1,3]benzothiazole-3-carboxylate Traditional Name: 8-butoxy-4-keto-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:

CCCCOC1=CC2=C(C=C1)N3C(=O)C(=CN=C3S2)C(=O)OCC

Isomeric SMILES

CCCCOC1=CC2=C(C=C1)N3C(=O)C(=CN=C3S2)C(=O)OCC

InChI

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