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

Systemtic Name: ethyl 2-(5-methyl-3-phenyl-pyrazolo[1,5-a]pyrimidin-7-yl)sulfanyl-3-oxidanylidene-butanoate Openeye Name: ethyl 2-(5-methyl-3-phenyl-pyrazolo[1,5-a]pyrimidin-7-yl)sulfanyl-3-oxo-butanoate CAS Name: 2-[(5-methyl-3-phenyl-7-pyrazolo[1,5-a]pyrimidinyl)thio]-3-oxobutanoic acid ethyl ester IUPAC Name: ethyl 2-(5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)sulfanyl-3-oxobutanoate Traditional Name: 3-keto-2-[(5-methyl-3-phenyl-pyrazolo[1,5-a]pyrimidin-7-yl)thio]butyric acid ethyl ester Formula: C19H19N3O3S MolecularWeight: 369.43746

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19N3O3S/c1-4-25-19(24)17(13(3)23)26-16-10-12(2)21-18-15(11-20-22(16)18)14-8-6-5-7-9-14/h5-11,17H,4H2,1-3H3