methyl 3-(2-phenoxyethanoylamino)-6-(pyrrolidin-1-ium-1-ylmethyl)thieno[2,3-b]pyridine-2-carboxylate

Systemtic Name: methyl 3-(2-phenoxyethanoylamino)-6-(pyrrolidin-1-ium-1-ylmethyl)thieno[2,3-b]pyridine-2-carboxylate Openeye Name: methyl 3-[(2-phenoxyacetyl)amino]-6-(pyrrolidin-1-ium-1-ylmethyl)thieno[2,3-b]pyridine-2-carboxylate CAS Name: 3-[(1-oxo-2-phenoxyethyl)amino]-6-(1-pyrrolidin-1-iumylmethyl)-2-thieno[2,3-b]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 3-[(2-phenoxyacetyl)amino]-6-(pyrrolidin-1-ium-1-ylmethyl)thieno[2,3-b]pyridine-2-carboxylate Traditional Name: 3-[(2-phenoxyacetyl)amino]-6-(pyrrolidin-1-ium-1-ylmethyl)thieno[2,3-b]pyridine-2-carboxylic acid methyl ester Formula: C22H24N3O4S+ MolecularWeight: 426.50866

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=C(S1)N=C(C=C2)C[NH+]3CCCC3)NC(=O)COC4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=C(C2=C(S1)N=C(C=C2)C[NH+]3CCCC3)NC(=O)COC4=CC=CC=C4

InChI

InChI=1S/C22H23N3O4S/c1-28-22(27)20-19(24-18(26)14-29-16-7-3-2-4-8-16)17-10-9-15(23-21(17)30-20)13-25-11-5-6-12-25/h2-4,7-10H,5-6,11-14H2,1H3,(H,24,26)/p+1