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

Systemtic Name: methyl 6-[(4-ethoxycarbonylpiperazin-1-ium-1-yl)methyl]-3-(furan-2-ylcarbonylamino)thieno[2,3-b]pyridine-2-carboxylate Openeye Name: methyl 6-[(4-ethoxycarbonylpiperazin-1-ium-1-yl)methyl]-3-(furan-2-carbonylamino)thieno[2,3-b]pyridine-2-carboxylate CAS Name: 6-[(4-ethoxycarbonyl-1-piperazin-1-iumyl)methyl]-3-[[2-furanyl(oxo)methyl]amino]-2-thieno[2,3-b]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 6-[(4-ethoxycarbonylpiperazin-1-ium-1-yl)methyl]-3-(furan-2-carbonylamino)thieno[2,3-b]pyridine-2-carboxylate Traditional Name: 6-[(4-carbethoxypiperazin-1-ium-1-yl)methyl]-3-(2-furoylamino)thieno[2,3-b]pyridine-2-carboxylic acid methyl ester Formula: C22H25N4O6S+ MolecularWeight: 473.5221

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CC2=NC3=C(C=C2)C(=C(S3)C(=O)OC)NC(=O)C4=CC=CO4

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CC2=NC3=C(C=C2)C(=C(S3)C(=O)OC)NC(=O)C4=CC=CO4

InChI

InChI=1S/C22H24N4O6S/c1-3-31-22(29)26-10-8-25(9-11-26)13-14-6-7-15-17(24-19(27)16-5-4-12-32-16)18(21(28)30-2)33-20(15)23-14/h4-7,12H,3,8-11,13H2,1-2H3,(H,24,27)/p+1