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

Systemtic Name: 2-methylpropyl 7-methyl-5-(4-methylsulfanylphenyl)-2-[[3-(3-nitrophenyl)-1-phenyl-pyrazol-4-yl]methylidene]-3-oxidanylidene-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate Openeye Name: isobutyl 7-methyl-5-(4-methylsulfanylphenyl)-2-[[3-(3-nitrophenyl)-1-phenyl-pyrazol-4-yl]methylene]-3-oxo-5H-thiazolo[3,2-a]pyrimidine-6-carboxylate CAS Name: 7-methyl-5-[4-(methylthio)phenyl]-2-[[3-(3-nitrophenyl)-1-phenyl-4-pyrazolyl]methylidene]-3-oxo-5H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 7-methyl-5-(4-methylsulfanylphenyl)-2-[[3-(3-nitrophenyl)-1-phenylpyrazol-4-yl]methylidene]-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate Traditional Name: 3-keto-7-methyl-5-[4-(methylthio)phenyl]-2-[[3-(3-nitrophenyl)-1-phenyl-pyrazol-4-yl]methylene]-5H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid isobutyl ester Formula: C35H31N5O5S2 MolecularWeight: 665.78114

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(N2C(=O)C(=CC3=CN(N=C3C4=CC(=CC=C4)[N+](=O)[O-])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(=CC=C4)[N+](=O)[O-])C5=CC=CC=C5)SC2=N1)C6=CC=C(C=C6)SC)C(=O)OCC(C)C

InChI

InChI=1S/C35H31N5O5S2/c1-21(2)20-45-34(42)30-22(3)36-35-39(32(30)23-13-15-28(46-4)16-14-23)33(41)29(47-35)18-25-19-38(26-10-6-5-7-11-26)37-31(25)24-9-8-12-27(17-24)40(43)44/h5-19,21,32H,20H2,1-4H3