[2-[(3-ethoxycarbonyl-4-methyl-5-phenyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl] 1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate

Systemtic Name: [2-[(3-ethoxycarbonyl-4-methyl-5-phenyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl] 1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate Openeye Name: [2-[(3-ethoxycarbonyl-4-methyl-5-phenyl-2-thienyl)amino]-2-oxo-ethyl] 1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate CAS Name: 1,3-dimethyl-5-pyrazolo[3,4-b]pyridinecarboxylic acid [2-[(3-ethoxycarbonyl-4-methyl-5-phenyl-2-thiophenyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-ethoxycarbonyl-4-methyl-5-phenylthiophen-2-yl)amino]-2-oxoethyl] 1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate Traditional Name: 1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylic acid [2-[(3-carbethoxy-4-methyl-5-phenyl-2-thienyl)amino]-2-keto-ethyl] ester Formula: C25H24N4O5S MolecularWeight: 492.54686

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C2=CC=CC=C2)NC(=O)COC(=O)C3=CN=C4C(=C3)C(=NN4C)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C2=CC=CC=C2)NC(=O)COC(=O)C3=CN=C4C(=C3)C(=NN4C)C

InChI

InChI=1S/C25H24N4O5S/c1-5-33-25(32)20-14(2)21(16-9-7-6-8-10-16)35-23(20)27-19(30)13-34-24(31)17-11-18-15(3)28-29(4)22(18)26-12-17/h6-12H,5,13H2,1-4H3,(H,27,30)