methyl 2-[[3-bromanyl-4-[(4-fluorophenyl)methoxy]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-[(4-fluorophenyl)methoxy]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-[(4-fluorophenyl)methoxy]phenyl]methylene]-7-methyl-3-oxo-5-phenyl-5H-thiazolo[3,2-a]pyrimidine-6-carboxylate CAS Name: 2-[[3-bromo-4-[(4-fluorophenyl)methoxy]phenyl]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-[(4-fluorophenyl)methoxy]phenyl]methylidene]-7-methyl-3-oxo-5-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate Traditional Name: 2-[3-bromo-4-(4-fluorobenzyl)oxy-benzylidene]-3-keto-7-methyl-5-phenyl-5H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid methyl ester Formula: C29H22BrFN2O4S MolecularWeight: 593.463383

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(N2C(=O)C(=CC3=CC(=C(C=C3)OCC4=CC=C(C=C4)F)Br)SC2=N1)C5=CC=CC=C5)C(=O)OC

Isomeric SMILES

CC1=C(C(N2C(=O)C(=CC3=CC(=C(C=C3)OCC4=CC=C(C=C4)F)Br)SC2=N1)C5=CC=CC=C5)C(=O)OC

InChI

InChI=1S/C29H22BrFN2O4S/c1-17-25(28(35)36-2)26(20-6-4-3-5-7-20)33-27(34)24(38-29(33)32-17)15-19-10-13-23(22(30)14-19)37-16-18-8-11-21(31)12-9-18/h3-15,26H,16H2,1-2H3