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

Systemtic Name: propan-2-yl 7-methyl-2-[[3-(3-methyl-4-prop-2-enoxy-phenyl)-1-phenyl-pyrazol-4-yl]methylidene]-5-(4-methylsulfanylphenyl)-3-oxidanylidene-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate Openeye Name: isopropyl 2-[[3-(4-allyloxy-3-methyl-phenyl)-1-phenyl-pyrazol-4-yl]methylene]-7-methyl-5-(4-methylsulfanylphenyl)-3-oxo-5H-thiazolo[3,2-a]pyrimidine-6-carboxylate CAS Name: 7-methyl-2-[[3-(3-methyl-4-prop-2-enoxyphenyl)-1-phenyl-4-pyrazolyl]methylidene]-5-[4-(methylthio)phenyl]-3-oxo-5H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 7-methyl-2-[[3-(3-methyl-4-prop-2-enoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-5-(4-methylsulfanylphenyl)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate Traditional Name: 2-[[3-(4-allyloxy-3-methyl-phenyl)-1-phenyl-pyrazol-4-yl]methylene]-3-keto-7-methyl-5-[4-(methylthio)phenyl]-5H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid isopropyl ester Formula: C38H36N4O4S2 MolecularWeight: 676.84684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=NN(C=C2C=C3C(=O)N4C(C(=C(N=C4S3)C)C(=O)OC(C)C)C5=CC=C(C=C5)SC)C6=CC=CC=C6)OCC=C

Isomeric SMILES

CC1=C(C=CC(=C1)C2=NN(C=C2C=C3C(=O)N4C(C(=C(N=C4S3)C)C(=O)OC(C)C)C5=CC=C(C=C5)SC)C6=CC=CC=C6)OCC=C

InChI

InChI=1S/C38H36N4O4S2/c1-7-19-45-31-18-15-27(20-24(31)4)34-28(22-41(40-34)29-11-9-8-10-12-29)21-32-36(43)42-35(26-13-16-30(47-6)17-14-26)33(37(44)46-23(2)3)25(5)39-38(42)48-32/h7-18,20-23,35H,1,19H2,2-6H3