3-azanyl-4-[4-(2-oxidanylidene-3H-benzimidazol-1-yl)piperidin-1-yl]thieno[2,3-b]pyridine-2-carboxylic acid

Systemtic Name: 3-azanyl-4-[4-(2-oxidanylidene-3H-benzimidazol-1-yl)piperidin-1-yl]thieno[2,3-b]pyridine-2-carboxylic acid Openeye Name: 3-amino-4-[4-(2-oxo-3H-benzimidazol-1-yl)-1-piperidyl]thieno[2,3-b]pyridine-2-carboxylic acid CAS Name: 3-amino-4-[4-(2-oxo-3H-benzimidazol-1-yl)-1-piperidinyl]-2-thieno[2,3-b]pyridinecarboxylic acid IUPAC Name: 3-amino-4-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]thieno[2,3-b]pyridine-2-carboxylic acid Traditional Name: 3-amino-4-[4-(2-keto-3H-benzimidazol-1-yl)piperidino]thieno[2,3-b]pyridine-2-carboxylic acid Formula: C20H19N5O3S MolecularWeight: 409.46156

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2C3=CC=CC=C3NC2=O)C4=C5C(=C(SC5=NC=C4)C(=O)O)N

Isomeric SMILES

C1CN(CCC1N2C3=CC=CC=C3NC2=O)C4=C5C(=C(SC5=NC=C4)C(=O)O)N

InChI

InChI=1S/C20H19N5O3S/c21-16-15-14(5-8-22-18(15)29-17(16)19(26)27)24-9-6-11(7-10-24)25-13-4-2-1-3-12(13)23-20(25)28/h1-5,8,11H,6-7,9-10,21H2,(H,23,28)(H,26,27)