6-methyl-2-[(2-oxidanylidenechromen-3-yl)carbonylamino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate

Systemtic Name: 6-methyl-2-[(2-oxidanylidenechromen-3-yl)carbonylamino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate Openeye Name: 6-methyl-2-[(2-oxochromene-3-carbonyl)amino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate CAS Name: 6-methyl-2-[[oxo-(2-oxo-1-benzopyran-3-yl)methyl]amino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate IUPAC Name: 6-methyl-2-[(2-oxochromene-3-carbonyl)amino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate Traditional Name: 2-[(2-ketochromene-3-carbonyl)amino]-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate Formula: C19H16N2O5S MolecularWeight: 384.40574

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16N2O5S/c1-21-7-6-11-14(9-21)27-17(15(11)18(23)24)20-16(22)12-8-10-4-2-3-5-13(10)26-19(12)25/h2-5,8H,6-7,9H2,1H3,(H,20,22)(H,23,24)