[2-methyl-1,1-bis(oxidanylidene)-3-(pyridin-2-ylcarbamoyl)-1$l^{6},2-benzothiazin-4-yl] 2-(3-fluoranyl-4-phenyl-phenyl)propanoate

Systemtic Name: [2-methyl-1,1-bis(oxidanylidene)-3-(pyridin-2-ylcarbamoyl)-1$l^{6},2-benzothiazin-4-yl] 2-(3-fluoranyl-4-phenyl-phenyl)propanoate Openeye Name: [2-methyl-1,1-dioxo-3-(2-pyridylcarbamoyl)-1$l^{6},2-benzothiazin-4-yl] 2-(3-fluoro-4-phenyl-phenyl)propanoate CAS Name: 2-(3-fluoro-4-phenylphenyl)propanoic acid [2-methyl-1,1-dioxo-3-[oxo-(2-pyridinylamino)methyl]-1$l^{6},2-benzothiazin-4-yl] ester IUPAC Name: [2-methyl-1,1-dioxo-3-(pyridin-2-ylcarbamoyl)-1$l^{6},2-benzothiazin-4-yl] 2-(3-fluoro-4-phenylphenyl)propanoate Traditional Name: 2-(3-fluoro-4-phenyl-phenyl)propionic acid [1,1-diketo-2-methyl-3-(2-pyridylcarbamoyl)-1$l^{6},2-benzothiazin-4-yl] ester Formula: C30H24FN3O5S MolecularWeight: 557.592063

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=C(C=C1)C2=CC=CC=C2)F)C(=O)OC3=C(N(S(=O)(=O)C4=CC=CC=C43)C)C(=O)NC5=CC=CC=N5

Isomeric SMILES

CC(C1=CC(=C(C=C1)C2=CC=CC=C2)F)C(=O)OC3=C(N(S(=O)(=O)C4=CC=CC=C43)C)C(=O)NC5=CC=CC=N5

InChI

InChI=1S/C30H24FN3O5S/c1-19(21-15-16-22(24(31)18-21)20-10-4-3-5-11-20)30(36)39-28-23-12-6-7-13-25(23)40(37,38)34(2)27(28)29(35)33-26-14-8-9-17-32-26/h3-19H,1-2H3,(H,32,33,35)