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

Systemtic Name: propan-2-yl 2-[(5-bromanyl-2-butoxy-phenyl)methylidene]-5-(4-chlorophenyl)-7-methyl-3-oxidanylidene-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate Openeye Name: isopropyl 2-[(5-bromo-2-butoxy-phenyl)methylene]-5-(4-chlorophenyl)-7-methyl-3-oxo-5H-thiazolo[3,2-a]pyrimidine-6-carboxylate CAS Name: 2-[(5-bromo-2-butoxyphenyl)methylidene]-5-(4-chlorophenyl)-7-methyl-3-oxo-5H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[(5-bromo-2-butoxyphenyl)methylidene]-5-(4-chlorophenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate Traditional Name: 2-(5-bromo-2-butoxy-benzylidene)-5-(4-chlorophenyl)-3-keto-7-methyl-5H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid isopropyl ester Formula: C28H28BrClN2O4S MolecularWeight: 603.95492

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)Br)C=C2C(=O)N3C(C(=C(N=C3S2)C)C(=O)OC(C)C)C4=CC=C(C=C4)Cl

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)Br)C=C2C(=O)N3C(C(=C(N=C3S2)C)C(=O)OC(C)C)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C28H28BrClN2O4S/c1-5-6-13-35-22-12-9-20(29)14-19(22)15-23-26(33)32-25(18-7-10-21(30)11-8-18)24(27(34)36-16(2)3)17(4)31-28(32)37-23/h7-12,14-16,25H,5-6,13H2,1-4H3