tert-butyl 2-[4-[[4-methyl-1,1,3-tris(oxidanylidene)-7-(pyridin-4-ylmethylcarbamoyl)-1$l^{6},2,4-benzothiadiazin-2-yl]methyl]phenyl]ethanoate

Systemtic Name: tert-butyl 2-[4-[[4-methyl-1,1,3-tris(oxidanylidene)-7-(pyridin-4-ylmethylcarbamoyl)-1$l^{6},2,4-benzothiadiazin-2-yl]methyl]phenyl]ethanoate Openeye Name: tert-butyl 2-[4-[[4-methyl-1,1,3-trioxo-7-(4-pyridylmethylcarbamoyl)-1$l^{6},2,4-benzothiadiazin-2-yl]methyl]phenyl]acetate CAS Name: 2-[4-[[4-methyl-1,1,3-trioxo-7-[oxo-(pyridin-4-ylmethylamino)methyl]-1$l^{6},2,4-benzothiadiazin-2-yl]methyl]phenyl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-[[4-methyl-1,1,3-trioxo-7-(pyridin-4-ylmethylcarbamoyl)-1$l^{6},2,4-benzothiadiazin-2-yl]methyl]phenyl]acetate Traditional Name: 2-[4-[[1,1,3-triketo-4-methyl-7-(4-pyridylmethylcarbamoyl)-1$l^{6},2,4-benzothiadiazin-2-yl]methyl]phenyl]acetic acid tert-butyl ester Formula: C28H30N4O6S MolecularWeight: 550.626

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CC1=CC=C(C=C1)CN2C(=O)N(C3=C(S2(=O)=O)C=C(C=C3)C(=O)NCC4=CC=NC=C4)C

Isomeric SMILES

CC(C)(C)OC(=O)CC1=CC=C(C=C1)CN2C(=O)N(C3=C(S2(=O)=O)C=C(C=C3)C(=O)NCC4=CC=NC=C4)C

InChI

InChI=1S/C28H30N4O6S/c1-28(2,3)38-25(33)15-19-5-7-21(8-6-19)18-32-27(35)31(4)23-10-9-22(16-24(23)39(32,36)37)26(34)30-17-20-11-13-29-14-12-20/h5-14,16H,15,17-18H2,1-4H3,(H,30,34)