6-(4-acetamidopiperidin-1-yl)-3-azanyl-4-propyl-thieno[2,3-b]pyridine-2-carboxylic acid

Systemtic Name: 6-(4-acetamidopiperidin-1-yl)-3-azanyl-4-propyl-thieno[2,3-b]pyridine-2-carboxylic acid Openeye Name: 6-(4-acetamido-1-piperidyl)-3-amino-4-propyl-thieno[2,3-b]pyridine-2-carboxylic acid CAS Name: 6-(4-acetamido-1-piperidinyl)-3-amino-4-propyl-2-thieno[2,3-b]pyridinecarboxylic acid IUPAC Name: 6-(4-acetamidopiperidin-1-yl)-3-amino-4-propylthieno[2,3-b]pyridine-2-carboxylic acid Traditional Name: 6-(4-acetamidopiperidino)-3-amino-4-propyl-thieno[2,3-b]pyridine-2-carboxylic acid Formula: C18H24N4O3S MolecularWeight: 376.47316

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NC2=C1C(=C(S2)C(=O)O)N)N3CCC(CC3)NC(=O)C

Isomeric SMILES

CCCC1=CC(=NC2=C1C(=C(S2)C(=O)O)N)N3CCC(CC3)NC(=O)C

InChI

InChI=1S/C18H24N4O3S/c1-3-4-11-9-13(22-7-5-12(6-8-22)20-10(2)23)21-17-14(11)15(19)16(26-17)18(24)25/h9,12H,3-8,19H2,1-2H3,(H,20,23)(H,24,25)