tert-butyl 4-[[7-[(3-methoxyphenyl)methylcarbamoyl]-1,1,3-tris(oxidanylidene)-4H-1$l^{6},2,4-benzothiadiazin-2-yl]methyl]benzoate

Systemtic Name: tert-butyl 4-[[7-[(3-methoxyphenyl)methylcarbamoyl]-1,1,3-tris(oxidanylidene)-4H-1$l^{6},2,4-benzothiadiazin-2-yl]methyl]benzoate Openeye Name: tert-butyl 4-[[7-[(3-methoxyphenyl)methylcarbamoyl]-1,1,3-trioxo-4H-1$l^{6},2,4-benzothiadiazin-2-yl]methyl]benzoate CAS Name: 4-[[7-[[(3-methoxyphenyl)methylamino]-oxomethyl]-1,1,3-trioxo-4H-1$l^{6},2,4-benzothiadiazin-2-yl]methyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[7-[(3-methoxyphenyl)methylcarbamoyl]-1,1,3-trioxo-4H-1$l^{6},2,4-benzothiadiazin-2-yl]methyl]benzoate Traditional Name: 4-[[1,1,3-triketo-7-(m-anisylcarbamoyl)-4H-1$l^{6},2,4-benzothiadiazin-2-yl]methyl]benzoic acid tert-butyl ester Formula: C28H29N3O7S MolecularWeight: 551.61076

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=CC=C(C=C1)CN2C(=O)NC3=C(S2(=O)=O)C=C(C=C3)C(=O)NCC4=CC(=CC=C4)OC

Isomeric SMILES

CC(C)(C)OC(=O)C1=CC=C(C=C1)CN2C(=O)NC3=C(S2(=O)=O)C=C(C=C3)C(=O)NCC4=CC(=CC=C4)OC

InChI

InChI=1S/C28H29N3O7S/c1-28(2,3)38-26(33)20-10-8-18(9-11-20)17-31-27(34)30-23-13-12-21(15-24(23)39(31,35)36)25(32)29-16-19-6-5-7-22(14-19)37-4/h5-15H,16-17H2,1-4H3,(H,29,32)(H,30,34)