(2-fluorophenyl)methyl 5,5-bis(oxidanylidene)-8,9,10,11-tetrahydro-7H-azepino[2,1-c][1,2,4]benzothiadiazine-3-carboxylate

Systemtic Name: (2-fluorophenyl)methyl 5,5-bis(oxidanylidene)-8,9,10,11-tetrahydro-7H-azepino[2,1-c][1,2,4]benzothiadiazine-3-carboxylate Openeye Name: (2-fluorophenyl)methyl 5,5-dioxo-8,9,10,11-tetrahydro-7H-azepino[2,1-c][1,2,4]benzothiadiazine-3-carboxylate CAS Name: 5,5-dioxo-8,9,10,11-tetrahydro-7H-azepino[2,1-c][1,2,4]benzothiadiazine-3-carboxylic acid (2-fluorophenyl)methyl ester IUPAC Name: (2-fluorophenyl)methyl 5,5-dioxo-8,9,10,11-tetrahydro-7H-azepino[2,1-c][1,2,4]benzothiadiazine-3-carboxylate Traditional Name: 5,5-diketo-8,9,10,11-tetrahydro-7H-azepino[2,1-c][1,2,4]benzothiadiazine-3-carboxylic acid (2-fluorobenzyl) ester Formula: C20H19FN2O4S MolecularWeight: 402.439263

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=NS(=O)(=O)C3=C(N2CC1)C=CC(=C3)C(=O)OCC4=CC=CC=C4F

Isomeric SMILES

C1CCC2=NS(=O)(=O)C3=C(N2CC1)C=CC(=C3)C(=O)OCC4=CC=CC=C4F

InChI

InChI=1S/C20H19FN2O4S/c21-16-7-4-3-6-15(16)13-27-20(24)14-9-10-17-18(12-14)28(25,26)22-19-8-2-1-5-11-23(17)19/h3-4,6-7,9-10,12H,1-2,5,8,11,13H2