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

Systemtic Name: (4-cyanophenyl) 5,5-bis(oxidanylidene)-8,9,10,11-tetrahydro-7H-azepino[2,1-c][1,2,4]benzothiadiazine-3-carboxylate Openeye Name: (4-cyanophenyl) 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 (4-cyanophenyl) ester IUPAC Name: (4-cyanophenyl) 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 (4-cyanophenyl) ester Formula: C20H17N3O4S MolecularWeight: 395.43168

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17N3O4S/c21-13-14-5-8-16(9-6-14)27-20(24)15-7-10-17-18(12-15)28(25,26)22-19-4-2-1-3-11-23(17)19/h5-10,12H,1-4,11H2