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

Systemtic Name: methyl 2-(1-benzofuran-2-ylcarbonylamino)-6-ethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C20H21N2O4S+ MolecularWeight: 385.45674

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O4S/c1-3-22-9-8-13-16(11-22)27-19(17(13)20(24)25-2)21-18(23)15-10-12-6-4-5-7-14(12)26-15/h4-7,10H,3,8-9,11H2,1-2H3,(H,21,23)/p+1