ethyl 3-[7-oxidanylidene-3-(4-phenylsulfanylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-6-yl]propanoate

Systemtic Name: ethyl 3-[7-oxidanylidene-3-(4-phenylsulfanylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-6-yl]propanoate Openeye Name: ethyl 3-[7-oxo-3-(4-phenylsulfanylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-6-yl]propanoate CAS Name: 3-[7-oxo-3-[4-(phenylthio)phenyl]-1H-pyrazolo[1,5-a]pyrimidin-6-yl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[7-oxo-3-(4-phenylsulfanylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-6-yl]propanoate Traditional Name: 3-[7-keto-3-[4-(phenylthio)phenyl]-1H-pyrazolo[1,5-a]pyrimidin-6-yl]propionic acid ethyl ester Formula: C23H21N3O3S MolecularWeight: 419.49614

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC1=CN=C2C(=CNN2C1=O)C3=CC=C(C=C3)SC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)CCC1=CN=C2C(=CNN2C1=O)C3=CC=C(C=C3)SC4=CC=CC=C4

InChI

InChI=1S/C23H21N3O3S/c1-2-29-21(27)13-10-17-14-24-22-20(15-25-26(22)23(17)28)16-8-11-19(12-9-16)30-18-6-4-3-5-7-18/h3-9,11-12,14-15,25H,2,10,13H2,1H3