methyl 3-(2-cyclopentylethanoylamino)-6-(thiomorpholin-4-ium-4-ylmethyl)thieno[2,3-b]pyridine-2-carboxylate

Systemtic Name: methyl 3-(2-cyclopentylethanoylamino)-6-(thiomorpholin-4-ium-4-ylmethyl)thieno[2,3-b]pyridine-2-carboxylate Openeye Name: methyl 3-[(2-cyclopentylacetyl)amino]-6-(thiomorpholin-4-ium-4-ylmethyl)thieno[2,3-b]pyridine-2-carboxylate CAS Name: 3-[(2-cyclopentyl-1-oxoethyl)amino]-6-(4-thiomorpholin-4-iumylmethyl)-2-thieno[2,3-b]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 3-[(2-cyclopentylacetyl)amino]-6-(thiomorpholin-4-ium-4-ylmethyl)thieno[2,3-b]pyridine-2-carboxylate Traditional Name: 3-[(2-cyclopentylacetyl)amino]-6-(thiomorpholin-4-ium-4-ylmethyl)thieno[2,3-b]pyridine-2-carboxylic acid methyl ester Formula: C21H28N3O3S2+ MolecularWeight: 434.59532

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=C(S1)N=C(C=C2)C[NH+]3CCSCC3)NC(=O)CC4CCCC4

Isomeric SMILES

COC(=O)C1=C(C2=C(S1)N=C(C=C2)C[NH+]3CCSCC3)NC(=O)CC4CCCC4

InChI

InChI=1S/C21H27N3O3S2/c1-27-21(26)19-18(23-17(25)12-14-4-2-3-5-14)16-7-6-15(22-20(16)29-19)13-24-8-10-28-11-9-24/h6-7,14H,2-5,8-13H2,1H3,(H,23,25)/p+1