[1,1-bis(oxidanylidene)-3-(phenylcarbonyl)-2-prop-2-enyl-1$l^{6},2-benzothiazin-4-yl] 4-fluoranylbenzoate

Systemtic Name: [1,1-bis(oxidanylidene)-3-(phenylcarbonyl)-2-prop-2-enyl-1$l^{6},2-benzothiazin-4-yl] 4-fluoranylbenzoate Openeye Name: (2-allyl-3-benzoyl-1,1-dioxo-1$l^{6},2-benzothiazin-4-yl) 4-fluorobenzoate CAS Name: 4-fluorobenzoic acid (3-benzoyl-1,1-dioxo-2-prop-2-enyl-1$l^{6},2-benzothiazin-4-yl) ester IUPAC Name: (3-benzoyl-1,1-dioxo-2-prop-2-enyl-1$l^{6},2-benzothiazin-4-yl) 4-fluorobenzoate Traditional Name: 4-fluorobenzoic acid (2-allyl-3-benzoyl-1,1-diketo-1$l^{6},2-benzothiazin-4-yl) ester Formula: C25H18FNO5S MolecularWeight: 463.477523

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=C(C2=CC=CC=C2S1(=O)=O)OC(=O)C3=CC=C(C=C3)F)C(=O)C4=CC=CC=C4

Isomeric SMILES

C=CCN1C(=C(C2=CC=CC=C2S1(=O)=O)OC(=O)C3=CC=C(C=C3)F)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H18FNO5S/c1-2-16-27-22(23(28)17-8-4-3-5-9-17)24(20-10-6-7-11-21(20)33(27,30)31)32-25(29)18-12-14-19(26)15-13-18/h2-15H,1,16H2