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

Systemtic Name: 6-ethyl-2-[(2-oxidanylidenechromen-3-yl)carbonylamino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide Openeye Name: 6-ethyl-2-[(2-oxochromene-3-carbonyl)amino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide CAS Name: 6-ethyl-2-[[oxo-(2-oxo-1-benzopyran-3-yl)methyl]amino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide IUPAC Name: 6-ethyl-2-[(2-oxochromene-3-carbonyl)amino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide Traditional Name: 6-ethyl-2-[(2-ketochromene-3-carbonyl)amino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide Formula: C20H20N3O4S+ MolecularWeight: 398.4555

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N3O4S/c1-2-23-8-7-12-15(10-23)28-19(16(12)17(21)24)22-18(25)13-9-11-5-3-4-6-14(11)27-20(13)26/h3-6,9H,2,7-8,10H2,1H3,(H2,21,24)(H,22,25)/p+1