ethyl 4-[5-tert-butyl-3-(4-chlorophenyl)-2-methyl-pyrazolo[1,5-a]pyrimidin-7-yl]sulfanyl-3-oxidanylidene-butanoate

Systemtic Name: ethyl 4-[5-tert-butyl-3-(4-chlorophenyl)-2-methyl-pyrazolo[1,5-a]pyrimidin-7-yl]sulfanyl-3-oxidanylidene-butanoate Openeye Name: ethyl 4-[5-tert-butyl-3-(4-chlorophenyl)-2-methyl-pyrazolo[1,5-a]pyrimidin-7-yl]sulfanyl-3-oxo-butanoate CAS Name: 4-[[5-tert-butyl-3-(4-chlorophenyl)-2-methyl-7-pyrazolo[1,5-a]pyrimidinyl]thio]-3-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[5-tert-butyl-3-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]sulfanyl-3-oxobutanoate Traditional Name: 4-[[5-tert-butyl-3-(4-chlorophenyl)-2-methyl-pyrazolo[1,5-a]pyrimidin-7-yl]thio]-3-keto-butyric acid ethyl ester Formula: C23H26ClN3O3S MolecularWeight: 459.98884

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(=O)CSC1=CC(=NC2=C(C(=NN12)C)C3=CC=C(C=C3)Cl)C(C)(C)C

Isomeric SMILES

CCOC(=O)CC(=O)CSC1=CC(=NC2=C(C(=NN12)C)C3=CC=C(C=C3)Cl)C(C)(C)C

InChI

InChI=1S/C23H26ClN3O3S/c1-6-30-20(29)11-17(28)13-31-19-12-18(23(3,4)5)25-22-21(14(2)26-27(19)22)15-7-9-16(24)10-8-15/h7-10,12H,6,11,13H2,1-5H3