[2-[(1-methylpyrrol-2-yl)carbonylamino]-2-oxidanylidene-ethyl] 3-methyl-1-phenyl-6-thiophen-2-yl-pyrazolo[3,4-b]pyridine-4-carboxylate

Systemtic Name: [2-[(1-methylpyrrol-2-yl)carbonylamino]-2-oxidanylidene-ethyl] 3-methyl-1-phenyl-6-thiophen-2-yl-pyrazolo[3,4-b]pyridine-4-carboxylate Openeye Name: [2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxo-ethyl] 3-methyl-1-phenyl-6-(2-thienyl)pyrazolo[3,4-b]pyridine-4-carboxylate CAS Name: 3-methyl-1-phenyl-6-thiophen-2-yl-4-pyrazolo[3,4-b]pyridinecarboxylic acid [2-[[(1-methyl-2-pyrrolyl)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 3-methyl-1-phenyl-6-thiophen-2-ylpyrazolo[3,4-b]pyridine-4-carboxylate Traditional Name: 3-methyl-1-phenyl-6-(2-thienyl)pyrazolo[3,4-b]pyridine-4-carboxylic acid [2-keto-2-[(1-methylpyrrole-2-carbonyl)amino]ethyl] ester Formula: C26H21N5O4S MolecularWeight: 499.54104

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C(=CC(=N2)C3=CC=CS3)C(=O)OCC(=O)NC(=O)C4=CC=CN4C)C5=CC=CC=C5

Isomeric SMILES

CC1=NN(C2=C1C(=CC(=N2)C3=CC=CS3)C(=O)OCC(=O)NC(=O)C4=CC=CN4C)C5=CC=CC=C5

InChI

InChI=1S/C26H21N5O4S/c1-16-23-18(26(34)35-15-22(32)28-25(33)20-10-6-12-30(20)2)14-19(21-11-7-13-36-21)27-24(23)31(29-16)17-8-4-3-5-9-17/h3-14H,15H2,1-2H3,(H,28,32,33)