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

Systemtic Name: ethyl 2-[7-chloranyl-5-methyl-2-methylsulfanyl-3-(phenylsulfonyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanoate Openeye Name: ethyl 2-[3-(benzenesulfonyl)-7-chloro-5-methyl-2-methylsulfanyl-pyrazolo[1,5-a]pyrimidin-6-yl]acetate CAS Name: 2-[3-(benzenesulfonyl)-7-chloro-5-methyl-2-(methylthio)-6-pyrazolo[1,5-a]pyrimidinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[3-(benzenesulfonyl)-7-chloro-5-methyl-2-methylsulfanylpyrazolo[1,5-a]pyrimidin-6-yl]acetate Traditional Name: 2-[3-besyl-7-chloro-5-methyl-2-(methylthio)pyrazolo[1,5-a]pyrimidin-6-yl]acetic acid ethyl ester Formula: C18H18ClN3O4S2 MolecularWeight: 439.93622

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=C(N2C(=C(C(=N2)SC)S(=O)(=O)C3=CC=CC=C3)N=C1C)Cl

Isomeric SMILES

CCOC(=O)CC1=C(N2C(=C(C(=N2)SC)S(=O)(=O)C3=CC=CC=C3)N=C1C)Cl

InChI

InChI=1S/C18H18ClN3O4S2/c1-4-26-14(23)10-13-11(2)20-17-15(18(27-3)21-22(17)16(13)19)28(24,25)12-8-6-5-7-9-12/h5-9H,4,10H2,1-3H3