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

Systemtic Name: 2-methylpropyl 2-[[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]methylidene]-7-methyl-5-(4-methylsulfanylphenyl)-3-oxidanylidene-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate Openeye Name: isobutyl 2-[[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]methylene]-7-methyl-5-(4-methylsulfanylphenyl)-3-oxo-5H-thiazolo[3,2-a]pyrimidine-6-carboxylate CAS Name: 2-[[3-(4-chlorophenyl)-1-phenyl-4-pyrazolyl]methylidene]-7-methyl-5-[4-(methylthio)phenyl]-3-oxo-5H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 2-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methylidene]-7-methyl-5-(4-methylsulfanylphenyl)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate Traditional Name: 2-[[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]methylene]-3-keto-7-methyl-5-[4-(methylthio)phenyl]-5H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid isobutyl ester Formula: C35H31ClN4O3S2 MolecularWeight: 655.22864

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(N2C(=O)C(=CC3=CN(N=C3C4=CC=C(C=C4)Cl)C5=CC=CC=C5)SC2=N1)C6=CC=C(C=C6)SC)C(=O)OCC(C)C

Isomeric SMILES

CC1=C(C(N2C(=O)C(=CC3=CN(N=C3C4=CC=C(C=C4)Cl)C5=CC=CC=C5)SC2=N1)C6=CC=C(C=C6)SC)C(=O)OCC(C)C

InChI

InChI=1S/C35H31ClN4O3S2/c1-21(2)20-43-34(42)30-22(3)37-35-40(32(30)24-12-16-28(44-4)17-13-24)33(41)29(45-35)18-25-19-39(27-8-6-5-7-9-27)38-31(25)23-10-14-26(36)15-11-23/h5-19,21,32H,20H2,1-4H3