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

Systemtic Name: 3-azanyl-6-(1,4-oxazepan-4-yl)-4-propyl-thieno[2,3-b]pyridine-2-carboxylic acid Openeye Name: 3-amino-6-(1,4-oxazepan-4-yl)-4-propyl-thieno[2,3-b]pyridine-2-carboxylic acid CAS Name: 3-amino-6-(1,4-oxazepan-4-yl)-4-propyl-2-thieno[2,3-b]pyridinecarboxylic acid IUPAC Name: 3-amino-6-(1,4-oxazepan-4-yl)-4-propylthieno[2,3-b]pyridine-2-carboxylic acid Traditional Name: 3-amino-6-(1,4-oxazepan-4-yl)-4-propyl-thieno[2,3-b]pyridine-2-carboxylic acid Formula: C16H21N3O3S MolecularWeight: 335.42124

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NC2=C1C(=C(S2)C(=O)O)N)N3CCCOCC3

Isomeric SMILES

CCCC1=CC(=NC2=C1C(=C(S2)C(=O)O)N)N3CCCOCC3

InChI

InChI=1S/C16H21N3O3S/c1-2-4-10-9-11(19-5-3-7-22-8-6-19)18-15-12(10)13(17)14(23-15)16(20)21/h9H,2-8,17H2,1H3,(H,20,21)