methyl 2-(2H-chromen-3-ylcarbonylamino)-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate

Systemtic Name: methyl 2-(2H-chromen-3-ylcarbonylamino)-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate Openeye Name: methyl 2-(2H-chromene-3-carbonylamino)-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate CAS Name: 2-[[2H-1-benzopyran-3-yl(oxo)methyl]amino]-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylic acid methyl ester IUPAC Name: methyl 2-(2H-chromene-3-carbonylamino)-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate Traditional Name: 2-(2H-chromene-3-carbonylamino)-6-methyl-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:

C[NH+]1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C3=CC4=CC=CC=C4OC3

Isomeric SMILES

C[NH+]1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C3=CC4=CC=CC=C4OC3

InChI

InChI=1S/C20H20N2O4S/c1-22-8-7-14-16(10-22)27-19(17(14)20(24)25-2)21-18(23)13-9-12-5-3-4-6-15(12)26-11-13/h3-6,9H,7-8,10-11H2,1-2H3,(H,21,23)/p+1