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

Systemtic Name: ethyl 4-(5-tert-butyl-2-methyl-3-phenyl-pyrazolo[1,5-a]pyrimidin-7-yl)sulfanyl-3-oxidanylidene-butanoate Openeye Name: ethyl 4-(5-tert-butyl-2-methyl-3-phenyl-pyrazolo[1,5-a]pyrimidin-7-yl)sulfanyl-3-oxo-butanoate CAS Name: 4-[(5-tert-butyl-2-methyl-3-phenyl-7-pyrazolo[1,5-a]pyrimidinyl)thio]-3-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-(5-tert-butyl-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)sulfanyl-3-oxobutanoate Traditional Name: 4-[(5-tert-butyl-2-methyl-3-phenyl-pyrazolo[1,5-a]pyrimidin-7-yl)thio]-3-keto-butyric acid ethyl ester Formula: C23H27N3O3S MolecularWeight: 425.54378

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N3O3S/c1-6-29-20(28)12-17(27)14-30-19-13-18(23(3,4)5)24-22-21(15(2)25-26(19)22)16-10-8-7-9-11-16/h7-11,13H,6,12,14H2,1-5H3