ethyl 5-[(1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)carbonylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: ethyl 5-[(1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)carbonylamino]-1-benzothiophene-2-carboxylate Openeye Name: ethyl 5-[(1,3-dimethylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]benzothiophene-2-carboxylate CAS Name: 5-[[(1,3-dimethyl-5-pyrazolo[3,4-b]pyridinyl)-oxomethyl]amino]-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[(1,3-dimethylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]-1-benzothiophene-2-carboxylate Traditional Name: 5-[(1,3-dimethylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]benzothiophene-2-carboxylic acid ethyl ester Formula: C20H18N4O3S MolecularWeight: 394.44692

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(S1)C=CC(=C2)NC(=O)C3=CN=C4C(=C3)C(=NN4C)C

Isomeric SMILES

CCOC(=O)C1=CC2=C(S1)C=CC(=C2)NC(=O)C3=CN=C4C(=C3)C(=NN4C)C

InChI

InChI=1S/C20H18N4O3S/c1-4-27-20(26)17-9-12-7-14(5-6-16(12)28-17)22-19(25)13-8-15-11(2)23-24(3)18(15)21-10-13/h5-10H,4H2,1-3H3,(H,22,25)