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

Systemtic Name: 2-phenoxyethyl 5,5-bis(oxidanylidene)-8,9,10,11-tetrahydro-7H-azepino[2,1-c][1,2,4]benzothiadiazine-3-carboxylate Openeye Name: 2-phenoxyethyl 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-phenoxyethyl ester IUPAC Name: 2-phenoxyethyl 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-phenoxyethyl ester Formula: C21H22N2O5S MolecularWeight: 414.47478

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=NS(=O)(=O)C3=C(N2CC1)C=CC(=C3)C(=O)OCCOC4=CC=CC=C4

Isomeric SMILES

C1CCC2=NS(=O)(=O)C3=C(N2CC1)C=CC(=C3)C(=O)OCCOC4=CC=CC=C4

InChI

InChI=1S/C21H22N2O5S/c24-21(28-14-13-27-17-7-3-1-4-8-17)16-10-11-18-19(15-16)29(25,26)22-20-9-5-2-6-12-23(18)20/h1,3-4,7-8,10-11,15H,2,5-6,9,12-14H2