methyl 3-(cyclohexylcarbonylamino)-6-(morpholin-4-ylmethyl)thieno[2,3-b]pyridine-2-carboxylate

Systemtic Name: methyl 3-(cyclohexylcarbonylamino)-6-(morpholin-4-ylmethyl)thieno[2,3-b]pyridine-2-carboxylate Openeye Name: methyl 3-(cyclohexanecarbonylamino)-6-(morpholinomethyl)thieno[2,3-b]pyridine-2-carboxylate CAS Name: 3-[[cyclohexyl(oxo)methyl]amino]-6-(4-morpholinylmethyl)-2-thieno[2,3-b]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 3-(cyclohexanecarbonylamino)-6-(morpholin-4-ylmethyl)thieno[2,3-b]pyridine-2-carboxylate Traditional Name: 3-(cyclohexanecarbonylamino)-6-(morpholinomethyl)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)CN3CCOCC3)NC(=O)C4CCCCC4

Isomeric SMILES

COC(=O)C1=C(C2=C(S1)N=C(C=C2)CN3CCOCC3)NC(=O)C4CCCCC4

InChI

InChI=1S/C21H27N3O4S/c1-27-21(26)18-17(23-19(25)14-5-3-2-4-6-14)16-8-7-15(22-20(16)29-18)13-24-9-11-28-12-10-24/h7-8,14H,2-6,9-13H2,1H3,(H,23,25)