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

Systemtic Name: [3-ethanoyl-1,1-bis(oxidanylidene)-2-propyl-1$l^{6},2-benzothiazin-4-yl] 2-bromanylbenzoate Openeye Name: (3-acetyl-1,1-dioxo-2-propyl-1$l^{6},2-benzothiazin-4-yl) 2-bromobenzoate CAS Name: 2-bromobenzoic acid (3-acetyl-1,1-dioxo-2-propyl-1$l^{6},2-benzothiazin-4-yl) ester IUPAC Name: (3-acetyl-1,1-dioxo-2-propyl-1$l^{6},2-benzothiazin-4-yl) 2-bromobenzoate Traditional Name: 2-bromobenzoic acid (3-acetyl-1,1-diketo-2-propyl-1$l^{6},2-benzothiazin-4-yl) ester Formula: C20H18BrNO5S MolecularWeight: 464.32962

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=C(C2=CC=CC=C2S1(=O)=O)OC(=O)C3=CC=CC=C3Br)C(=O)C

Isomeric SMILES

CCCN1C(=C(C2=CC=CC=C2S1(=O)=O)OC(=O)C3=CC=CC=C3Br)C(=O)C

InChI

InChI=1S/C20H18BrNO5S/c1-3-12-22-18(13(2)23)19(15-9-5-7-11-17(15)28(22,25)26)27-20(24)14-8-4-6-10-16(14)21/h4-11H,3,12H2,1-2H3