6-[1,1-bis(oxidanylidene)-4H-1$l^{6},2,4-benzothiadiazin-3-yl]-4-(3-methylbutyl)thieno[3,2-b]pyridine-5,7-dione

Systemtic Name: 6-[1,1-bis(oxidanylidene)-4H-1$l^{6},2,4-benzothiadiazin-3-yl]-4-(3-methylbutyl)thieno[3,2-b]pyridine-5,7-dione Openeye Name: 6-(1,1-dioxo-4H-1$l^{6},2,4-benzothiadiazin-3-yl)-4-isopentyl-thieno[3,2-b]pyridine-5,7-dione CAS Name: 6-(1,1-dioxo-4H-1$l^{6},2,4-benzothiadiazin-3-yl)-4-(3-methylbutyl)thieno[3,2-b]pyridine-5,7-dione IUPAC Name: 6-(1,1-dioxo-4H-1$l^{6},2,4-benzothiadiazin-3-yl)-4-(3-methylbutyl)thieno[3,2-b]pyridine-5,7-dione Traditional Name: 6-(1,1-diketo-4H-1$l^{6},2,4-benzothiadiazin-3-yl)-4-isoamyl-thieno[3,2-b]pyridine-5,7-quinone Formula: C19H19N3O4S2 MolecularWeight: 417.50186

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C2=C(C(=O)C(C1=O)C3=NS(=O)(=O)C4=CC=CC=C4N3)SC=C2

Isomeric SMILES

CC(C)CCN1C2=C(C(=O)C(C1=O)C3=NS(=O)(=O)C4=CC=CC=C4N3)SC=C2

InChI

InChI=1S/C19H19N3O4S2/c1-11(2)7-9-22-13-8-10-27-17(13)16(23)15(19(22)24)18-20-12-5-3-4-6-14(12)28(25,26)21-18/h3-6,8,10-11,15H,7,9H2,1-2H3,(H,20,21)