Molecule ID: 11673949

IUPAC Name: 1,1,5,10-tetraoxo-3,4-dihydro-2H-pyrido[2,3-g][1,4]benzothiazine-7-carboxylic acid

Description: The molecule is an organic heterotricyclic compound, that is 3,4-dihydro-2H-[1,4]thiazino[2,3-g]quinoline-5,10 dione S,S-dioxide substituted at position 7 by a carboxyl group. It is an anti-inflmmatory alkaloid obtained from Aplidium. It has a role as a metabolite and an anti-inflammatory agent. It is a monocarboxylic acid, an alkaloid, an organic heterotricyclic compound, a sulfone and a member of p-quinones.

SMILES: O=C(O)c1ccc2c(n1)C(=O)C1=C(C2=O)S(=O)(=O)CCN1

SELFIES: [O][=C][Branch1][C][O][C][=C][C][=C][C][=Branch1][Ring2][=N][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][Branch1][Branch1][C][Ring1][Branch2][=O][S][=Branch1][C][=O][=Branch1][C][=O][C][C][N][Ring1][#Branch2]

InChI: InChI=1S/C12H8N2O6S/c15-9-5-1-2-6(12(17)18)14-7(5)10(16)8-11(9)21(19,20)4-3-13-8/h1-2,13H,3-4H2,(H,17,18)

Molecular Properties:
- Polar Surface Area: 139.0 Ų
- LogP: 0.0