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

Systemtic Name: ethyl 2-[5-tert-butyl-3-(4-chlorophenyl)-2-methyl-pyrazolo[1,5-a]pyrimidin-7-yl]sulfanyl-3-oxidanylidene-butanoate Openeye Name: ethyl 2-[5-tert-butyl-3-(4-chlorophenyl)-2-methyl-pyrazolo[1,5-a]pyrimidin-7-yl]sulfanyl-3-oxo-butanoate CAS Name: 2-[[5-tert-butyl-3-(4-chlorophenyl)-2-methyl-7-pyrazolo[1,5-a]pyrimidinyl]thio]-3-oxobutanoic acid ethyl ester IUPAC Name: ethyl 2-[5-tert-butyl-3-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]sulfanyl-3-oxobutanoate Traditional Name: 2-[[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)C(C(=O)C)SC1=CC(=NC2=C(C(=NN12)C)C3=CC=C(C=C3)Cl)C(C)(C)C

Isomeric SMILES

CCOC(=O)C(C(=O)C)SC1=CC(=NC2=C(C(=NN12)C)C3=CC=C(C=C3)Cl)C(C)(C)C

InChI

InChI=1S/C23H26ClN3O3S/c1-7-30-22(29)20(14(3)28)31-18-12-17(23(4,5)6)25-21-19(13(2)26-27(18)21)15-8-10-16(24)11-9-15/h8-12,20H,7H2,1-6H3