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

Systemtic Name: (3-chlorophenyl) 5,5-bis(oxidanylidene)-8,9,10,11-tetrahydro-7H-azepino[2,1-c][1,2,4]benzothiadiazine-3-carboxylate Openeye Name: (3-chlorophenyl) 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 (3-chlorophenyl) ester IUPAC Name: (3-chlorophenyl) 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 (3-chlorophenyl) ester Formula: C19H17ClN2O4S MolecularWeight: 404.86728

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=NS(=O)(=O)C3=C(N2CC1)C=CC(=C3)C(=O)OC4=CC(=CC=C4)Cl

Isomeric SMILES

C1CCC2=NS(=O)(=O)C3=C(N2CC1)C=CC(=C3)C(=O)OC4=CC(=CC=C4)Cl

InChI

InChI=1S/C19H17ClN2O4S/c20-14-5-4-6-15(12-14)26-19(23)13-8-9-16-17(11-13)27(24,25)21-18-7-2-1-3-10-22(16)18/h4-6,8-9,11-12H,1-3,7,10H2