1-(2-carboxyethyl)-3-methyl-6-thiophen-2-yl-pyrazolo[3,4-b]pyridine-4-carboxylic acid

Systemtic Name: 1-(2-carboxyethyl)-3-methyl-6-thiophen-2-yl-pyrazolo[3,4-b]pyridine-4-carboxylic acid Openeye Name: 1-(2-carboxyethyl)-3-methyl-6-(2-thienyl)pyrazolo[3,4-b]pyridine-4-carboxylic acid CAS Name: 1-(2-carboxyethyl)-3-methyl-6-thiophen-2-yl-4-pyrazolo[3,4-b]pyridinecarboxylic acid IUPAC Name: 1-(2-carboxyethyl)-3-methyl-6-thiophen-2-ylpyrazolo[3,4-b]pyridine-4-carboxylic acid Traditional Name: 1-(2-carboxyethyl)-3-methyl-6-(2-thienyl)pyrazolo[3,4-b]pyridine-4-carboxylic acid Formula: C15H13N3O4S MolecularWeight: 331.34642

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C(=CC(=N2)C3=CC=CS3)C(=O)O)CCC(=O)O

Isomeric SMILES

CC1=NN(C2=C1C(=CC(=N2)C3=CC=CS3)C(=O)O)CCC(=O)O

InChI

InChI=1S/C15H13N3O4S/c1-8-13-9(15(21)22)7-10(11-3-2-6-23-11)16-14(13)18(17-8)5-4-12(19)20/h2-3,6-7H,4-5H2,1H3,(H,19,20)(H,21,22)