ethyl 3-oxidanylidene-1-phenyl-1-(trifluoromethyl)-2H-pyrimido[6,1-b][1,3]benzothiazole-4-carboxylate

Systemtic Name: ethyl 3-oxidanylidene-1-phenyl-1-(trifluoromethyl)-2H-pyrimido[6,1-b][1,3]benzothiazole-4-carboxylate Openeye Name: ethyl 3-oxo-1-phenyl-1-(trifluoromethyl)-2H-pyrimido[6,1-b][1,3]benzothiazole-4-carboxylate CAS Name: 3-oxo-1-phenyl-1-(trifluoromethyl)-2H-pyrimido[6,1-b][1,3]benzothiazole-4-carboxylic acid ethyl ester IUPAC Name: ethyl 3-oxo-1-phenyl-1-(trifluoromethyl)-2H-pyrimido[6,1-b][1,3]benzothiazole-4-carboxylate Traditional Name: 3-keto-1-phenyl-1-(trifluoromethyl)-2H-pyrimido[6,1-b][1,3]benzothiazole-4-carboxylic acid ethyl ester Formula: C20H15F3N2O3S MolecularWeight: 420.40491

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2N(C3=CC=CC=C3S2)C(NC1=O)(C4=CC=CC=C4)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=C2N(C3=CC=CC=C3S2)C(NC1=O)(C4=CC=CC=C4)C(F)(F)F

InChI

InChI=1S/C20H15F3N2O3S/c1-2-28-18(27)15-16(26)24-19(20(21,22)23,12-8-4-3-5-9-12)25-13-10-6-7-11-14(13)29-17(15)25/h3-11H,2H2,1H3,(H,24,26)