methyl 6-(azepan-1-ylmethyl)-3-(oxolan-2-ylcarbonylamino)thieno[2,3-b]pyridine-2-carboxylate

Systemtic Name: methyl 6-(azepan-1-ylmethyl)-3-(oxolan-2-ylcarbonylamino)thieno[2,3-b]pyridine-2-carboxylate Openeye Name: methyl 6-(azepan-1-ylmethyl)-3-(tetrahydrofuran-2-carbonylamino)thieno[2,3-b]pyridine-2-carboxylate CAS Name: 6-(1-azepanylmethyl)-3-[[oxo(2-oxolanyl)methyl]amino]-2-thieno[2,3-b]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 6-(azepan-1-ylmethyl)-3-(oxolane-2-carbonylamino)thieno[2,3-b]pyridine-2-carboxylate Traditional Name: 6-(azepan-1-ylmethyl)-3-(tetrahydrofuran-2-carbonylamino)thieno[2,3-b]pyridine-2-carboxylic acid methyl ester Formula: C21H27N3O4S MolecularWeight: 417.52178

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=C(S1)N=C(C=C2)CN3CCCCCC3)NC(=O)C4CCCO4

Isomeric SMILES

COC(=O)C1=C(C2=C(S1)N=C(C=C2)CN3CCCCCC3)NC(=O)C4CCCO4

InChI

InChI=1S/C21H27N3O4S/c1-27-21(26)18-17(23-19(25)16-7-6-12-28-16)15-9-8-14(22-20(15)29-18)13-24-10-4-2-3-5-11-24/h8-9,16H,2-7,10-13H2,1H3,(H,23,25)