ethyl 2-[2-(2-butyloctyl)-5-ethanoyl-1,1-bis(oxidanylidene)-1$l^{6},2,4-benzothiadiazin-3-yl]ethanoate

Systemtic Name: ethyl 2-[2-(2-butyloctyl)-5-ethanoyl-1,1-bis(oxidanylidene)-1$l^{6},2,4-benzothiadiazin-3-yl]ethanoate Openeye Name: ethyl 2-[5-acetyl-2-(2-butyloctyl)-1,1-dioxo-1$l^{6},2,4-benzothiadiazin-3-yl]acetate CAS Name: 2-[5-acetyl-2-(2-butyloctyl)-1,1-dioxo-1$l^{6},2,4-benzothiadiazin-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[5-acetyl-2-(2-butyloctyl)-1,1-dioxo-1$l^{6},2,4-benzothiadiazin-3-yl]acetate Traditional Name: 2-[5-acetyl-2-(2-butyloctyl)-1,1-diketo-1$l^{6},2,4-benzothiadiazin-3-yl]acetic acid ethyl ester Formula: C25H38N2O5S MolecularWeight: 478.64462

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CCCC)CN1C(=NC2=C(C=CC=C2S1(=O)=O)C(=O)C)CC(=O)OCC

Isomeric SMILES

CCCCCCC(CCCC)CN1C(=NC2=C(C=CC=C2S1(=O)=O)C(=O)C)CC(=O)OCC

InChI

InChI=1S/C25H38N2O5S/c1-5-8-10-11-14-20(13-9-6-2)18-27-23(17-24(29)32-7-3)26-25-21(19(4)28)15-12-16-22(25)33(27,30)31/h12,15-16,20H,5-11,13-14,17-18H2,1-4H3