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

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N3O3S/c1-7-29-22(28)20(15(3)27)30-18-13-17(23(4,5)6)24-21-19(14(2)25-26(18)21)16-11-9-8-10-12-16/h8-13,20H,7H2,1-6H3