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

Systemtic Name: 2-methylpropyl 7-methyl-5-(4-methylsulfanylphenyl)-3-oxidanylidene-2-[(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate Openeye Name: isobutyl 7-methyl-5-(4-methylsulfanylphenyl)-3-oxo-2-[[1-phenyl-3-(2-thienyl)pyrazol-4-yl]methylene]-5H-thiazolo[3,2-a]pyrimidine-6-carboxylate CAS Name: 7-methyl-5-[4-(methylthio)phenyl]-3-oxo-2-[(1-phenyl-3-thiophen-2-yl-4-pyrazolyl)methylidene]-5H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 7-methyl-5-(4-methylsulfanylphenyl)-3-oxo-2-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate Traditional Name: 3-keto-7-methyl-5-[4-(methylthio)phenyl]-2-[[1-phenyl-3-(2-thienyl)pyrazol-4-yl]methylene]-5H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid isobutyl ester Formula: C33H30N4O3S3 MolecularWeight: 626.8113

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(N2C(=O)C(=CC3=CN(N=C3C4=CC=CS4)C5=CC=CC=C5)SC2=N1)C6=CC=C(C=C6)SC)C(=O)OCC(C)C

Isomeric SMILES

CC1=C(C(N2C(=O)C(=CC3=CN(N=C3C4=CC=CS4)C5=CC=CC=C5)SC2=N1)C6=CC=C(C=C6)SC)C(=O)OCC(C)C

InChI

InChI=1S/C33H30N4O3S3/c1-20(2)19-40-32(39)28-21(3)34-33-37(30(28)22-12-14-25(41-4)15-13-22)31(38)27(43-33)17-23-18-36(24-9-6-5-7-10-24)35-29(23)26-11-8-16-42-26/h5-18,20,30H,19H2,1-4H3