ethyl 2-(1-benzofuran-2-ylcarbonylamino)-6-ethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate

Systemtic Name: ethyl 2-(1-benzofuran-2-ylcarbonylamino)-6-ethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate Openeye Name: ethyl 2-(benzofuran-2-carbonylamino)-6-ethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate CAS Name: 2-[[2-benzofuranyl(oxo)methyl]amino]-6-ethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(1-benzofuran-2-carbonylamino)-6-ethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate Traditional Name: 2-(benzofuran-2-carbonylamino)-6-ethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylic acid ethyl ester Formula: C21H23N2O4S+ MolecularWeight: 399.48332

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCC2=C(C1)SC(=C2C(=O)OCC)NC(=O)C3=CC4=CC=CC=C4O3

Isomeric SMILES

CC[NH+]1CCC2=C(C1)SC(=C2C(=O)OCC)NC(=O)C3=CC4=CC=CC=C4O3

InChI

InChI=1S/C21H22N2O4S/c1-3-23-10-9-14-17(12-23)28-20(18(14)21(25)26-4-2)22-19(24)16-11-13-7-5-6-8-15(13)27-16/h5-8,11H,3-4,9-10,12H2,1-2H3,(H,22,24)/p+1