prop-2-enyl 2-[[3-(4-ethoxy-3-nitro-phenyl)-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: prop-2-enyl 2-[[3-(4-ethoxy-3-nitro-phenyl)-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: allyl 2-[[3-(4-ethoxy-3-nitro-phenyl)-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-ethoxy-3-nitrophenyl)-1-phenyl-4-pyrazolyl]methylidene]-7-methyl-5-[4-(methylthio)phenyl]-3-oxo-5H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl 2-[[3-(4-ethoxy-3-nitrophenyl)-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-ethoxy-3-nitro-phenyl)-1-phenyl-pyrazol-4-yl]methylene]-3-keto-7-methyl-5-[4-(methylthio)phenyl]-5H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid allyl ester Formula: C36H31N5O6S2 MolecularWeight: 693.79124

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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)C5=CC=C(C=C5)SC)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)C5=CC=C(C=C5)SC)C6=CC=CC=C6)[N+](=O)[O-]

InChI

InChI=1S/C36H31N5O6S2/c1-5-18-47-35(43)31-22(3)37-36-40(33(31)23-12-15-27(48-4)16-13-23)34(42)30(49-36)20-25-21-39(26-10-8-7-9-11-26)38-32(25)24-14-17-29(46-6-2)28(19-24)41(44)45/h5,7-17,19-21,33H,1,6,18H2,2-4H3