2-oxidanylidene-4-[5-(4-oxidanylidene-1,3-benzothiazin-2-yl)pyridin-2-yl]isoindol-2-ium-1,3-dione

Systemtic Name: 2-oxidanylidene-4-[5-(4-oxidanylidene-1,3-benzothiazin-2-yl)pyridin-2-yl]isoindol-2-ium-1,3-dione Openeye Name: 2-oxo-4-[5-(4-oxo-1,3-benzothiazin-2-yl)-2-pyridyl]isoindolin-2-ium-1,3-dione CAS Name: 2-oxo-4-[5-(4-oxo-1,3-benzothiazin-2-yl)-2-pyridinyl]isoindol-2-ium-1,3-dione IUPAC Name: 2-oxo-4-[5-(4-oxo-1,3-benzothiazin-2-yl)pyridin-2-yl]isoindol-2-ium-1,3-dione Traditional Name: 2-keto-4-[5-(4-keto-1,3-benzothiazin-2-yl)-2-pyridyl]isoindolin-2-ium-1,3-quinone Formula: C21H10N3O4S+ MolecularWeight: 400.3868

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N=C(S2)C3=CN=C(C=C3)C4=CC=CC5=C4C(=O)[N+](=O)C5=O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N=C(S2)C3=CN=C(C=C3)C4=CC=CC5=C4C(=O)[N+](=O)C5=O

InChI

InChI=1S/C21H10N3O4S/c25-18-13-4-1-2-7-16(13)29-19(23-18)11-8-9-15(22-10-11)12-5-3-6-14-17(12)21(27)24(28)20(14)26/h1-10H/q+1