[2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-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-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-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-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-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-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-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-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2-keto-ethyl] ester Formula: C24H24N4O5S2 MolecularWeight: 512.60116

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=NS(=O)(=O)C3=C(N2CC1)C=CC(=C3)C(=O)OCC(=O)NC4=C(C5=C(S4)CCCC5)C#N

Isomeric SMILES

C1CCC2=NS(=O)(=O)C3=C(N2CC1)C=CC(=C3)C(=O)OCC(=O)NC4=C(C5=C(S4)CCCC5)C#N

InChI

InChI=1S/C24H24N4O5S2/c25-13-17-16-6-3-4-7-19(16)34-23(17)26-22(29)14-33-24(30)15-9-10-18-20(12-15)35(31,32)27-21-8-2-1-5-11-28(18)21/h9-10,12H,1-8,11,14H2,(H,26,29)