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

Systemtic Name: ethyl 4-(5-methyl-3-phenyl-pyrazolo[1,5-a]pyrimidin-7-yl)sulfanyl-3-oxidanylidene-butanoate Openeye Name: ethyl 4-(5-methyl-3-phenyl-pyrazolo[1,5-a]pyrimidin-7-yl)sulfanyl-3-oxo-butanoate CAS Name: 4-[(5-methyl-3-phenyl-7-pyrazolo[1,5-a]pyrimidinyl)thio]-3-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-(5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)sulfanyl-3-oxobutanoate Traditional Name: 3-keto-4-[(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)CC(=O)CSC1=CC(=NC2=C(C=NN12)C3=CC=CC=C3)C

Isomeric SMILES

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

InChI

InChI=1S/C19H19N3O3S/c1-3-25-18(24)10-15(23)12-26-17-9-13(2)21-19-16(11-20-22(17)19)14-7-5-4-6-8-14/h4-9,11H,3,10,12H2,1-2H3