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

Systemtic Name: 2-methylpropyl 2-[(2-chloranyl-6-fluoranyl-phenyl)methylidene]-5-(4-methoxycarbonylphenyl)-7-methyl-3-oxidanylidene-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate Openeye Name: isobutyl 2-[(2-chloro-6-fluoro-phenyl)methylene]-5-(4-methoxycarbonylphenyl)-7-methyl-3-oxo-5H-thiazolo[3,2-a]pyrimidine-6-carboxylate CAS Name: 2-[(2-chloro-6-fluorophenyl)methylidene]-5-(4-methoxycarbonylphenyl)-7-methyl-3-oxo-5H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 2-[(2-chloro-6-fluorophenyl)methylidene]-5-(4-methoxycarbonylphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate Traditional Name: 5-(4-carbomethoxyphenyl)-2-(2-chloro-6-fluoro-benzylidene)-3-keto-7-methyl-5H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid isobutyl ester Formula: C27H24ClFN2O5S MolecularWeight: 543.006263

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(N2C(=O)C(=CC3=C(C=CC=C3Cl)F)SC2=N1)C4=CC=C(C=C4)C(=O)OC)C(=O)OCC(C)C

Isomeric SMILES

CC1=C(C(N2C(=O)C(=CC3=C(C=CC=C3Cl)F)SC2=N1)C4=CC=C(C=C4)C(=O)OC)C(=O)OCC(C)C

InChI

InChI=1S/C27H24ClFN2O5S/c1-14(2)13-36-26(34)22-15(3)30-27-31(23(22)16-8-10-17(11-9-16)25(33)35-4)24(32)21(37-27)12-18-19(28)6-5-7-20(18)29/h5-12,14,23H,13H2,1-4H3