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

Systemtic Name: 3-azanyl-6-[4-[(2-oxidanyl-3-phenylmethoxy-propyl)amino]piperidin-1-yl]-4-propyl-thieno[2,3-b]pyridine-2-carboxylic acid Openeye Name: 3-amino-6-[4-[(3-benzyloxy-2-hydroxy-propyl)amino]-1-piperidyl]-4-propyl-thieno[2,3-b]pyridine-2-carboxylic acid CAS Name: 3-amino-6-[4-[(2-hydroxy-3-phenylmethoxypropyl)amino]-1-piperidinyl]-4-propyl-2-thieno[2,3-b]pyridinecarboxylic acid IUPAC Name: 3-amino-6-[4-[(2-hydroxy-3-phenylmethoxypropyl)amino]piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxylic acid Traditional Name: 3-amino-6-[4-[(3-benzoxy-2-hydroxy-propyl)amino]piperidino]-4-propyl-thieno[2,3-b]pyridine-2-carboxylic acid Formula: C26H34N4O4S MolecularWeight: 498.63756

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NC2=C1C(=C(S2)C(=O)O)N)N3CCC(CC3)NCC(COCC4=CC=CC=C4)O

Isomeric SMILES

CCCC1=CC(=NC2=C1C(=C(S2)C(=O)O)N)N3CCC(CC3)NCC(COCC4=CC=CC=C4)O

InChI

InChI=1S/C26H34N4O4S/c1-2-6-18-13-21(29-25-22(18)23(27)24(35-25)26(32)33)30-11-9-19(10-12-30)28-14-20(31)16-34-15-17-7-4-3-5-8-17/h3-5,7-8,13,19-20,28,31H,2,6,9-12,14-16,27H2,1H3,(H,32,33)