ethyl 2-[5-methyl-2-methylsulfanyl-7-oxidanylidene-3-(phenylsulfonyl)-1H-pyrazolo[1,5-a]pyrimidin-6-yl]ethanoate

Systemtic Name: ethyl 2-[5-methyl-2-methylsulfanyl-7-oxidanylidene-3-(phenylsulfonyl)-1H-pyrazolo[1,5-a]pyrimidin-6-yl]ethanoate Openeye Name: ethyl 2-[3-(benzenesulfonyl)-5-methyl-2-methylsulfanyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl]acetate CAS Name: 2-[3-(benzenesulfonyl)-5-methyl-2-(methylthio)-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[3-(benzenesulfonyl)-5-methyl-2-methylsulfanyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl]acetate Traditional Name: 2-[3-besyl-7-keto-5-methyl-2-(methylthio)-1H-pyrazolo[1,5-a]pyrimidin-6-yl]acetic acid ethyl ester Formula: C18H19N3O5S2 MolecularWeight: 421.49056

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=C(N=C2C(=C(NN2C1=O)SC)S(=O)(=O)C3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)CC1=C(N=C2C(=C(NN2C1=O)SC)S(=O)(=O)C3=CC=CC=C3)C

InChI

InChI=1S/C18H19N3O5S2/c1-4-26-14(22)10-13-11(2)19-16-15(17(27-3)20-21(16)18(13)23)28(24,25)12-8-6-5-7-9-12/h5-9,20H,4,10H2,1-3H3