methyl 6-[(4-ethoxycarbonylpiperidin-1-ium-1-yl)methyl]-3-(furan-3-ylcarbonylamino)thieno[2,3-b]pyridine-2-carboxylate

Systemtic Name: methyl 6-[(4-ethoxycarbonylpiperidin-1-ium-1-yl)methyl]-3-(furan-3-ylcarbonylamino)thieno[2,3-b]pyridine-2-carboxylate Openeye Name: methyl 6-[(4-ethoxycarbonylpiperidin-1-ium-1-yl)methyl]-3-(furan-3-carbonylamino)thieno[2,3-b]pyridine-2-carboxylate CAS Name: 6-[(4-ethoxycarbonyl-1-piperidin-1-iumyl)methyl]-3-[[3-furanyl(oxo)methyl]amino]-2-thieno[2,3-b]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 6-[(4-ethoxycarbonylpiperidin-1-ium-1-yl)methyl]-3-(furan-3-carbonylamino)thieno[2,3-b]pyridine-2-carboxylate Traditional Name: 6-[(4-carbethoxypiperidin-1-ium-1-yl)methyl]-3-(3-furoylamino)thieno[2,3-b]pyridine-2-carboxylic acid methyl ester Formula: C23H26N3O6S+ MolecularWeight: 472.53404

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CC2=NC3=C(C=C2)C(=C(S3)C(=O)OC)NC(=O)C4=COC=C4

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)CC2=NC3=C(C=C2)C(=C(S3)C(=O)OC)NC(=O)C4=COC=C4

InChI

InChI=1S/C23H25N3O6S/c1-3-32-22(28)14-6-9-26(10-7-14)12-16-4-5-17-18(25-20(27)15-8-11-31-13-15)19(23(29)30-2)33-21(17)24-16/h4-5,8,11,13-14H,3,6-7,9-10,12H2,1-2H3,(H,25,27)/p+1