[4-(thiophen-2-ylcarbonylamino)phenyl] 1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxylate

Systemtic Name: [4-(thiophen-2-ylcarbonylamino)phenyl] 1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxylate Openeye Name: [4-(thiophene-2-carbonylamino)phenyl] 1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxylate CAS Name: 1,3,6-trimethyl-5-pyrazolo[3,4-b]pyridinecarboxylic acid [4-[[oxo(thiophen-2-yl)methyl]amino]phenyl] ester IUPAC Name: [4-(thiophene-2-carbonylamino)phenyl] 1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxylate Traditional Name: 1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxylic acid [4-(2-thenoylamino)phenyl] ester Formula: C21H18N4O3S MolecularWeight: 406.45762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=NN(C2=N1)C)C)C(=O)OC3=CC=C(C=C3)NC(=O)C4=CC=CS4

Isomeric SMILES

CC1=C(C=C2C(=NN(C2=N1)C)C)C(=O)OC3=CC=C(C=C3)NC(=O)C4=CC=CS4

InChI

InChI=1S/C21H18N4O3S/c1-12-17(11-16-13(2)24-25(3)19(16)22-12)21(27)28-15-8-6-14(7-9-15)23-20(26)18-5-4-10-29-18/h4-11H,1-3H3,(H,23,26)