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

Systemtic Name: [2-[(2-aminocarbonylphenyl)amino]-2-oxidanylidene-ethyl] 3-methyl-1-phenyl-6-thiophen-2-yl-pyrazolo[3,4-b]pyridine-4-carboxylate Openeye Name: [2-(2-carbamoylanilino)-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-(2-carbamoylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-carbamoylanilino)-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-(2-carbamoylanilino)-2-keto-ethyl] ester Formula: C27H21N5O4S MolecularWeight: 511.55174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C(=CC(=N2)C3=CC=CS3)C(=O)OCC(=O)NC4=CC=CC=C4C(=O)N)C5=CC=CC=C5

Isomeric SMILES

CC1=NN(C2=C1C(=CC(=N2)C3=CC=CS3)C(=O)OCC(=O)NC4=CC=CC=C4C(=O)N)C5=CC=CC=C5

InChI

InChI=1S/C27H21N5O4S/c1-16-24-19(27(35)36-15-23(33)29-20-11-6-5-10-18(20)25(28)34)14-21(22-12-7-13-37-22)30-26(24)32(31-16)17-8-3-2-4-9-17/h2-14H,15H2,1H3,(H2,28,34)(H,29,33)