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

Systemtic Name: methyl 3-[(1-ethyl-6-thiophen-2-yl-pyrazolo[3,4-b]pyridin-4-yl)carbonylamino]-4-methyl-benzoate Openeye Name: methyl 3-[[1-ethyl-6-(2-thienyl)pyrazolo[3,4-b]pyridine-4-carbonyl]amino]-4-methyl-benzoate CAS Name: 3-[[(1-ethyl-6-thiophen-2-yl-4-pyrazolo[3,4-b]pyridinyl)-oxomethyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[(1-ethyl-6-thiophen-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]-4-methylbenzoate Traditional Name: 3-[[1-ethyl-6-(2-thienyl)pyrazolo[3,4-b]pyridine-4-carbonyl]amino]-4-methyl-benzoic acid methyl ester Formula: C22H20N4O3S MolecularWeight: 420.4842

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20N4O3S/c1-4-26-20-16(12-23-26)15(11-18(24-20)19-6-5-9-30-19)21(27)25-17-10-14(22(28)29-3)8-7-13(17)2/h5-12H,4H2,1-3H3,(H,25,27)