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

Systemtic Name: 2-methylpropyl 2-[[3-(4-ethoxy-3-nitro-phenyl)-1-phenyl-pyrazol-4-yl]methylidene]-5-(4-methoxycarbonylphenyl)-7-methyl-3-oxidanylidene-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate Openeye Name: isobutyl 2-[[3-(4-ethoxy-3-nitro-phenyl)-1-phenyl-pyrazol-4-yl]methylene]-5-(4-methoxycarbonylphenyl)-7-methyl-3-oxo-5H-thiazolo[3,2-a]pyrimidine-6-carboxylate CAS Name: 2-[[3-(4-ethoxy-3-nitrophenyl)-1-phenyl-4-pyrazolyl]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-[[3-(4-ethoxy-3-nitrophenyl)-1-phenylpyrazol-4-yl]methylidene]-5-(4-methoxycarbonylphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate Traditional Name: 5-(4-carbomethoxyphenyl)-2-[[3-(4-ethoxy-3-nitro-phenyl)-1-phenyl-pyrazol-4-yl]methylene]-3-keto-7-methyl-5H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid isobutyl ester Formula: C38H35N5O8S MolecularWeight: 721.7782

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C2=NN(C=C2C=C3C(=O)N4C(C(=C(N=C4S3)C)C(=O)OCC(C)C)C5=CC=C(C=C5)C(=O)OC)C6=CC=CC=C6)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C2=NN(C=C2C=C3C(=O)N4C(C(=C(N=C4S3)C)C(=O)OCC(C)C)C5=CC=C(C=C5)C(=O)OC)C6=CC=CC=C6)[N+](=O)[O-]

InChI

InChI=1S/C38H35N5O8S/c1-6-50-30-17-16-26(18-29(30)43(47)48)33-27(20-41(40-33)28-10-8-7-9-11-28)19-31-35(44)42-34(24-12-14-25(15-13-24)36(45)49-5)32(23(4)39-38(42)52-31)37(46)51-21-22(2)3/h7-20,22,34H,6,21H2,1-5H3