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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=CC(=O)C4=CC=CC=C4O3

Isomeric SMILES

CC(C)[NH+]1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=CC(=O)C4=CC=CC=C4O3

InChI

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