(5-azanyl-4-cyano-2-ethoxycarbonyl-thiophen-3-yl)methyl 1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate

Systemtic Name: (5-azanyl-4-cyano-2-ethoxycarbonyl-thiophen-3-yl)methyl 1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate Openeye Name: (5-amino-4-cyano-2-ethoxycarbonyl-3-thienyl)methyl 1-isopropylpyrazolo[3,4-b]pyridine-5-carboxylate CAS Name: 1-propan-2-yl-5-pyrazolo[3,4-b]pyridinecarboxylic acid (5-amino-4-cyano-2-ethoxycarbonyl-3-thiophenyl)methyl ester IUPAC Name: (5-amino-4-cyano-2-ethoxycarbonylthiophen-3-yl)methyl 1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate Traditional Name: 1-isopropylpyrazolo[3,4-b]pyridine-5-carboxylic acid (5-amino-2-carbethoxy-4-cyano-3-thienyl)methyl ester Formula: C19H19N5O4S MolecularWeight: 413.45026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)C2=CN=C3C(=C2)C=NN3C(C)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)C2=CN=C3C(=C2)C=NN3C(C)C

InChI

InChI=1S/C19H19N5O4S/c1-4-27-19(26)15-14(13(6-20)16(21)29-15)9-28-18(25)12-5-11-8-23-24(10(2)3)17(11)22-7-12/h5,7-8,10H,4,9,21H2,1-3H3