ethyl 2-[(3,6-dimethyl-1-propan-2-yl-pyrazolo[3,4-b]pyridin-4-yl)carbonylamino]-5-ethanoyl-4-methyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[(3,6-dimethyl-1-propan-2-yl-pyrazolo[3,4-b]pyridin-4-yl)carbonylamino]-5-ethanoyl-4-methyl-thiophene-3-carboxylate Openeye Name: ethyl 5-acetyl-2-[(1-isopropyl-3,6-dimethyl-pyrazolo[3,4-b]pyridine-4-carbonyl)amino]-4-methyl-thiophene-3-carboxylate CAS Name: 5-acetyl-2-[[(3,6-dimethyl-1-propan-2-yl-4-pyrazolo[3,4-b]pyridinyl)-oxomethyl]amino]-4-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-acetyl-2-[(3,6-dimethyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]-4-methylthiophene-3-carboxylate Traditional Name: 5-acetyl-2-[(1-isopropyl-3,6-dimethyl-pyrazolo[3,4-b]pyridine-4-carbonyl)amino]-4-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C22H26N4O4S MolecularWeight: 442.53124

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)C)NC(=O)C2=CC(=NC3=C2C(=NN3C(C)C)C)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)C)NC(=O)C2=CC(=NC3=C2C(=NN3C(C)C)C)C

InChI

InChI=1S/C22H26N4O4S/c1-8-30-22(29)16-12(5)18(14(7)27)31-21(16)24-20(28)15-9-11(4)23-19-17(15)13(6)25-26(19)10(2)3/h9-10H,8H2,1-7H3,(H,24,28)