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

Systemtic Name: [2-(tert-butylamino)-2-oxidanylidene-ethyl] 5,5-bis(oxidanylidene)-8,9,10,11-tetrahydro-7H-azepino[2,1-c][1,2,4]benzothiadiazine-3-carboxylate Openeye Name: [2-(tert-butylamino)-2-oxo-ethyl] 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-(tert-butylamino)-2-oxoethyl] ester IUPAC Name: [2-(tert-butylamino)-2-oxoethyl] 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-(tert-butylamino)-2-keto-ethyl] ester Formula: C19H25N3O5S MolecularWeight: 407.4839

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)COC(=O)C1=CC2=C(C=C1)N3CCCCCC3=NS2(=O)=O

Isomeric SMILES

CC(C)(C)NC(=O)COC(=O)C1=CC2=C(C=C1)N3CCCCCC3=NS2(=O)=O

InChI

InChI=1S/C19H25N3O5S/c1-19(2,3)20-17(23)12-27-18(24)13-8-9-14-15(11-13)28(25,26)21-16-7-5-4-6-10-22(14)16/h8-9,11H,4-7,10,12H2,1-3H3,(H,20,23)