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

Systemtic Name: 2-[(2-oxidanylidenechromen-3-yl)carbonylamino]-6-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide Openeye Name: 6-isopropyl-2-[(2-oxochromene-3-carbonyl)amino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide CAS Name: 2-[[oxo-(2-oxo-1-benzopyran-3-yl)methyl]amino]-6-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide IUPAC Name: 2-[(2-oxochromene-3-carbonyl)amino]-6-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide Traditional Name: 6-isopropyl-2-[(2-ketochromene-3-carbonyl)amino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide Formula: C21H22N3O4S+ MolecularWeight: 412.48208

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O4S/c1-11(2)24-8-7-13-16(10-24)29-20(17(13)18(22)25)23-19(26)14-9-12-5-3-4-6-15(12)28-21(14)27/h3-6,9,11H,7-8,10H2,1-2H3,(H2,22,25)(H,23,26)/p+1