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

Systemtic Name: methyl (2E)-2-[[3-(4-ethoxyphenyl)-1-phenyl-pyrazol-4-yl]methylidene]-7-methyl-3-oxidanylidene-5-thiophen-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate Openeye Name: methyl (2E)-2-[[3-(4-ethoxyphenyl)-1-phenyl-pyrazol-4-yl]methylene]-7-methyl-3-oxo-5-(2-thienyl)-5H-thiazolo[3,2-a]pyrimidine-6-carboxylate CAS Name: (2E)-2-[[3-(4-ethoxyphenyl)-1-phenyl-4-pyrazolyl]methylidene]-7-methyl-3-oxo-5-thiophen-2-yl-5H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid methyl ester IUPAC Name: methyl (2E)-2-[[3-(4-ethoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-7-methyl-3-oxo-5-thiophen-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate Traditional Name: (2E)-3-keto-7-methyl-2-[(1-phenyl-3-p-phenetyl-pyrazol-4-yl)methylene]-5-(2-thienyl)-5H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid methyl ester Formula: C31H26N4O4S2 MolecularWeight: 582.69254

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NN(C=C2C=C3C(=O)N4C(C(=C(N=C4S3)C)C(=O)OC)C5=CC=CS5)C6=CC=CC=C6

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NN(C=C2/C=C/3\C(=O)N4C(C(=C(N=C4S3)C)C(=O)OC)C5=CC=CS5)C6=CC=CC=C6

InChI

InChI=1S/C31H26N4O4S2/c1-4-39-23-14-12-20(13-15-23)27-21(18-34(33-27)22-9-6-5-7-10-22)17-25-29(36)35-28(24-11-8-16-40-24)26(30(37)38-3)19(2)32-31(35)41-25/h5-18,28H,4H2,1-3H3/b25-17+