3-azanyl-6-[4-[(2-oxidanyl-2-thiophen-2-yl-ethyl)amino]piperidin-1-yl]-4-propyl-thieno[2,3-b]pyridine-2-carboxylic acid

Systemtic Name: 3-azanyl-6-[4-[(2-oxidanyl-2-thiophen-2-yl-ethyl)amino]piperidin-1-yl]-4-propyl-thieno[2,3-b]pyridine-2-carboxylic acid Openeye Name: 3-amino-6-[4-[[2-hydroxy-2-(2-thienyl)ethyl]amino]-1-piperidyl]-4-propyl-thieno[2,3-b]pyridine-2-carboxylic acid CAS Name: 3-amino-6-[4-[(2-hydroxy-2-thiophen-2-ylethyl)amino]-1-piperidinyl]-4-propyl-2-thieno[2,3-b]pyridinecarboxylic acid IUPAC Name: 3-amino-6-[4-[(2-hydroxy-2-thiophen-2-ylethyl)amino]piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxylic acid Traditional Name: 3-amino-6-[4-[[2-hydroxy-2-(2-thienyl)ethyl]amino]piperidino]-4-propyl-thieno[2,3-b]pyridine-2-carboxylic acid Formula: C22H28N4O3S2 MolecularWeight: 460.61272

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NC2=C1C(=C(S2)C(=O)O)N)N3CCC(CC3)NCC(C4=CC=CS4)O

Isomeric SMILES

CCCC1=CC(=NC2=C1C(=C(S2)C(=O)O)N)N3CCC(CC3)NCC(C4=CC=CS4)O

InChI

InChI=1S/C22H28N4O3S2/c1-2-4-13-11-17(25-21-18(13)19(23)20(31-21)22(28)29)26-8-6-14(7-9-26)24-12-15(27)16-5-3-10-30-16/h3,5,10-11,14-15,24,27H,2,4,6-9,12,23H2,1H3,(H,28,29)