(phenylmethyl) 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: (phenylmethyl) 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: benzyl 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 (phenylmethyl) ester IUPAC Name: benzyl 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 benzyl ester Formula: C41H33N5O8S MolecularWeight: 755.79442

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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)OCC5=CC=CC=C5)C6=CC=C(C=C6)C(=O)OC)C7=CC=CC=C7)[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)OCC5=CC=CC=C5)C6=CC=C(C=C6)C(=O)OC)C7=CC=CC=C7)[N+](=O)[O-]

InChI

InChI=1S/C41H33N5O8S/c1-4-53-33-20-19-29(21-32(33)46(50)51)36-30(23-44(43-36)31-13-9-6-10-14-31)22-34-38(47)45-37(27-15-17-28(18-16-27)39(48)52-3)35(25(2)42-41(45)55-34)40(49)54-24-26-11-7-5-8-12-26/h5-23,37H,4,24H2,1-3H3