ethyl (2E)-5-(4-methoxyphenyl)-7-methyl-3-oxidanylidene-2-[[1-phenyl-3-(4-propoxyphenyl)pyrazol-4-yl]methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

Systemtic Name: ethyl (2E)-5-(4-methoxyphenyl)-7-methyl-3-oxidanylidene-2-[[1-phenyl-3-(4-propoxyphenyl)pyrazol-4-yl]methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate Openeye Name: ethyl (2E)-5-(4-methoxyphenyl)-7-methyl-3-oxo-2-[[1-phenyl-3-(4-propoxyphenyl)pyrazol-4-yl]methylene]-5H-thiazolo[3,2-a]pyrimidine-6-carboxylate CAS Name: (2E)-5-(4-methoxyphenyl)-7-methyl-3-oxo-2-[[1-phenyl-3-(4-propoxyphenyl)-4-pyrazolyl]methylidene]-5H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid ethyl ester IUPAC Name: ethyl (2E)-5-(4-methoxyphenyl)-7-methyl-3-oxo-2-[[1-phenyl-3-(4-propoxyphenyl)pyrazol-4-yl]methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate Traditional Name: (2E)-3-keto-5-(4-methoxyphenyl)-7-methyl-2-[[1-phenyl-3-(4-propoxyphenyl)pyrazol-4-yl]methylene]-5H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid ethyl ester Formula: C36H34N4O5S MolecularWeight: 634.74396

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C2=NN(C=C2C=C3C(=O)N4C(C(=C(N=C4S3)C)C(=O)OCC)C5=CC=C(C=C5)OC)C6=CC=CC=C6

Isomeric SMILES

CCCOC1=CC=C(C=C1)C2=NN(C=C2/C=C/3\C(=O)N4C(C(=C(N=C4S3)C)C(=O)OCC)C5=CC=C(C=C5)OC)C6=CC=CC=C6

InChI

InChI=1S/C36H34N4O5S/c1-5-20-45-29-18-12-24(13-19-29)32-26(22-39(38-32)27-10-8-7-9-11-27)21-30-34(41)40-33(25-14-16-28(43-4)17-15-25)31(35(42)44-6-2)23(3)37-36(40)46-30/h7-19,21-22,33H,5-6,20H2,1-4H3/b30-21+