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

Systemtic Name: (phenylmethyl) 5-(4-methoxycarbonylphenyl)-7-methyl-2-[[3-(3-nitrophenyl)-1-phenyl-pyrazol-4-yl]methylidene]-3-oxidanylidene-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate Openeye Name: benzyl 5-(4-methoxycarbonylphenyl)-7-methyl-2-[[3-(3-nitrophenyl)-1-phenyl-pyrazol-4-yl]methylene]-3-oxo-5H-thiazolo[3,2-a]pyrimidine-6-carboxylate CAS Name: 5-(4-methoxycarbonylphenyl)-7-methyl-2-[[3-(3-nitrophenyl)-1-phenyl-4-pyrazolyl]methylidene]-3-oxo-5H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 5-(4-methoxycarbonylphenyl)-7-methyl-2-[[3-(3-nitrophenyl)-1-phenylpyrazol-4-yl]methylidene]-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate Traditional Name: 5-(4-carbomethoxyphenyl)-3-keto-7-methyl-2-[[3-(3-nitrophenyl)-1-phenyl-pyrazol-4-yl]methylene]-5H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid benzyl ester Formula: C39H29N5O7S MolecularWeight: 711.74186

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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)C(=O)OC)C(=O)OCC7=CC=CC=C7

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)C(=O)OC)C(=O)OCC7=CC=CC=C7

InChI

InChI=1S/C39H29N5O7S/c1-24-33(38(47)51-23-25-10-5-3-6-11-25)35(26-16-18-27(19-17-26)37(46)50-2)43-36(45)32(52-39(43)40-24)21-29-22-42(30-13-7-4-8-14-30)41-34(29)28-12-9-15-31(20-28)44(48)49/h3-22,35H,23H2,1-2H3