[2-butyl-3-ethanoyl-1,1-bis(oxidanylidene)-1$l^{6},2-benzothiazin-4-yl] 4-bromanylbenzoate

Systemtic Name: [2-butyl-3-ethanoyl-1,1-bis(oxidanylidene)-1$l^{6},2-benzothiazin-4-yl] 4-bromanylbenzoate Openeye Name: (3-acetyl-2-butyl-1,1-dioxo-1$l^{6},2-benzothiazin-4-yl) 4-bromobenzoate CAS Name: 4-bromobenzoic acid (3-acetyl-2-butyl-1,1-dioxo-1$l^{6},2-benzothiazin-4-yl) ester IUPAC Name: (3-acetyl-2-butyl-1,1-dioxo-1$l^{6},2-benzothiazin-4-yl) 4-bromobenzoate Traditional Name: 4-bromobenzoic acid (3-acetyl-2-butyl-1,1-diketo-1$l^{6},2-benzothiazin-4-yl) ester Formula: C21H20BrNO5S MolecularWeight: 478.3562

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C2=CC=CC=C2S1(=O)=O)OC(=O)C3=CC=C(C=C3)Br)C(=O)C

Isomeric SMILES

CCCCN1C(=C(C2=CC=CC=C2S1(=O)=O)OC(=O)C3=CC=C(C=C3)Br)C(=O)C

InChI

InChI=1S/C21H20BrNO5S/c1-3-4-13-23-19(14(2)24)20(17-7-5-6-8-18(17)29(23,26)27)28-21(25)15-9-11-16(22)12-10-15/h5-12H,3-4,13H2,1-2H3