methyl 2-[(3-bromanyl-4-fluoranyl-phenyl)methylidene]-7-methyl-3-oxidanylidene-5-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

Systemtic Name: methyl 2-[(3-bromanyl-4-fluoranyl-phenyl)methylidene]-7-methyl-3-oxidanylidene-5-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate Openeye Name: methyl 2-[(3-bromo-4-fluoro-phenyl)methylene]-7-methyl-3-oxo-5-phenyl-5H-thiazolo[3,2-a]pyrimidine-6-carboxylate CAS Name: 2-[(3-bromo-4-fluorophenyl)methylidene]-7-methyl-3-oxo-5-phenyl-5H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid methyl ester IUPAC Name: methyl 2-[(3-bromo-4-fluorophenyl)methylidene]-7-methyl-3-oxo-5-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate Traditional Name: 2-(3-bromo-4-fluoro-benzylidene)-3-keto-7-methyl-5-phenyl-5H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid methyl ester Formula: C22H16BrFN2O3S MolecularWeight: 487.341443

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(N2C(=O)C(=CC3=CC(=C(C=C3)F)Br)SC2=N1)C4=CC=CC=C4)C(=O)OC

Isomeric SMILES

CC1=C(C(N2C(=O)C(=CC3=CC(=C(C=C3)F)Br)SC2=N1)C4=CC=CC=C4)C(=O)OC

InChI

InChI=1S/C22H16BrFN2O3S/c1-12-18(21(28)29-2)19(14-6-4-3-5-7-14)26-20(27)17(30-22(26)25-12)11-13-8-9-16(24)15(23)10-13/h3-11,19H,1-2H3