methyl 4-[(1-ethyl-6-thiophen-2-yl-pyrazolo[3,4-b]pyridin-4-yl)carbonylamino]benzoate

Systemtic Name: methyl 4-[(1-ethyl-6-thiophen-2-yl-pyrazolo[3,4-b]pyridin-4-yl)carbonylamino]benzoate Openeye Name: methyl 4-[[1-ethyl-6-(2-thienyl)pyrazolo[3,4-b]pyridine-4-carbonyl]amino]benzoate CAS Name: 4-[[(1-ethyl-6-thiophen-2-yl-4-pyrazolo[3,4-b]pyridinyl)-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[(1-ethyl-6-thiophen-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]benzoate Traditional Name: 4-[[1-ethyl-6-(2-thienyl)pyrazolo[3,4-b]pyridine-4-carbonyl]amino]benzoic acid methyl ester Formula: C21H18N4O3S MolecularWeight: 406.45762

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=N1)C(=CC(=N2)C3=CC=CS3)C(=O)NC4=CC=C(C=C4)C(=O)OC

Isomeric SMILES

CCN1C2=C(C=N1)C(=CC(=N2)C3=CC=CS3)C(=O)NC4=CC=C(C=C4)C(=O)OC

InChI

InChI=1S/C21H18N4O3S/c1-3-25-19-16(12-22-25)15(11-17(24-19)18-5-4-10-29-18)20(26)23-14-8-6-13(7-9-14)21(27)28-2/h4-12H,3H2,1-2H3,(H,23,26)