ethyl 1-(4-methylphenyl)sulfonyl-7-oxidanylidene-2,4-dihydropyrazolo[1,5-a]pyrimidine-6-carboxylate

Systemtic Name: ethyl 1-(4-methylphenyl)sulfonyl-7-oxidanylidene-2,4-dihydropyrazolo[1,5-a]pyrimidine-6-carboxylate Openeye Name: ethyl 7-oxo-1-(p-tolylsulfonyl)-2,4-dihydropyrazolo[1,5-a]pyrimidine-6-carboxylate CAS Name: 1-(4-methylphenyl)sulfonyl-7-oxo-2,4-dihydropyrazolo[1,5-a]pyrimidine-6-carboxylic acid ethyl ester IUPAC Name: ethyl 1-(4-methylphenyl)sulfonyl-7-oxo-2,4-dihydropyrazolo[1,5-a]pyrimidine-6-carboxylate Traditional Name: 7-keto-1-tosyl-2,4-dihydropyrazolo[1,5-a]pyrimidine-6-carboxylic acid ethyl ester Formula: C16H17N3O5S MolecularWeight: 363.38828

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CNC2=CCN(N2C1=O)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)C1=CNC2=CCN(N2C1=O)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C16H17N3O5S/c1-3-24-16(21)13-10-17-14-8-9-18(19(14)15(13)20)25(22,23)12-6-4-11(2)5-7-12/h4-8,10,17H,3,9H2,1-2H3