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

Systemtic Name: methyl 6-(morpholin-4-ium-4-ylmethyl)-3-(thiophen-3-ylcarbonylamino)thieno[2,3-b]pyridine-2-carboxylate Openeye Name: methyl 6-(morpholin-4-ium-4-ylmethyl)-3-(thiophene-3-carbonylamino)thieno[2,3-b]pyridine-2-carboxylate CAS Name: 6-(4-morpholin-4-iumylmethyl)-3-[[oxo(3-thiophenyl)methyl]amino]-2-thieno[2,3-b]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 6-(morpholin-4-ium-4-ylmethyl)-3-(thiophene-3-carbonylamino)thieno[2,3-b]pyridine-2-carboxylate Traditional Name: 6-(morpholin-4-ium-4-ylmethyl)-3-(3-thenoylamino)thieno[2,3-b]pyridine-2-carboxylic acid methyl ester Formula: C19H20N3O4S2+ MolecularWeight: 418.5098

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=C(S1)N=C(C=C2)C[NH+]3CCOCC3)NC(=O)C4=CSC=C4

Isomeric SMILES

COC(=O)C1=C(C2=C(S1)N=C(C=C2)C[NH+]3CCOCC3)NC(=O)C4=CSC=C4

InChI

InChI=1S/C19H19N3O4S2/c1-25-19(24)16-15(21-17(23)12-4-9-27-11-12)14-3-2-13(20-18(14)28-16)10-22-5-7-26-8-6-22/h2-4,9,11H,5-8,10H2,1H3,(H,21,23)/p+1