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

Systemtic Name: (4-methylphenyl) 5,5-bis(oxidanylidene)-8,9,10,11-tetrahydro-7H-azepino[2,1-c][1,2,4]benzothiadiazine-3-carboxylate Openeye Name: p-tolyl 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-methylphenyl) ester IUPAC Name: (4-methylphenyl) 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 p-tolyl ester Formula: C20H20N2O4S MolecularWeight: 384.4488

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OC(=O)C2=CC3=C(C=C2)N4CCCCCC4=NS3(=O)=O

Isomeric SMILES

CC1=CC=C(C=C1)OC(=O)C2=CC3=C(C=C2)N4CCCCCC4=NS3(=O)=O

InChI

InChI=1S/C20H20N2O4S/c1-14-6-9-16(10-7-14)26-20(23)15-8-11-17-18(13-15)27(24,25)21-19-5-3-2-4-12-22(17)19/h6-11,13H,2-5,12H2,1H3