ethyl (4R)-6-methyl-4-(4-methylsulfanylphenyl)-3-oxidanylidene-2-phenyl-4,7-dihydro-1H-pyrazolo[3,4-b]pyridine-5-carboxylate

Systemtic Name: ethyl (4R)-6-methyl-4-(4-methylsulfanylphenyl)-3-oxidanylidene-2-phenyl-4,7-dihydro-1H-pyrazolo[3,4-b]pyridine-5-carboxylate Openeye Name: ethyl (4R)-6-methyl-4-(4-methylsulfanylphenyl)-3-oxo-2-phenyl-4,7-dihydro-1H-pyrazolo[3,4-b]pyridine-5-carboxylate CAS Name: (4R)-6-methyl-4-[4-(methylthio)phenyl]-3-oxo-2-phenyl-4,7-dihydro-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4R)-6-methyl-4-(4-methylsulfanylphenyl)-3-oxo-2-phenyl-4,7-dihydro-1H-pyrazolo[3,4-b]pyridine-5-carboxylate Traditional Name: (4R)-3-keto-6-methyl-4-[4-(methylthio)phenyl]-2-phenyl-4,7-dihydro-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid ethyl ester Formula: C23H23N3O3S MolecularWeight: 421.51202

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC2=C(C1C3=CC=C(C=C3)SC)C(=O)N(N2)C4=CC=CC=C4)C

Isomeric SMILES

CCOC(=O)C1=C(NC2=C([C@H]1C3=CC=C(C=C3)SC)C(=O)N(N2)C4=CC=CC=C4)C

InChI

InChI=1S/C23H23N3O3S/c1-4-29-23(28)18-14(2)24-21-20(19(18)15-10-12-17(30-3)13-11-15)22(27)26(25-21)16-8-6-5-7-9-16/h5-13,19,24-25H,4H2,1-3H3/t19-/m0/s1