methyl 4-[2-[3-oxidanylidene-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]ethanoyloxymethyl]benzoate

Systemtic Name: methyl 4-[2-[3-oxidanylidene-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]ethanoyloxymethyl]benzoate Openeye Name: methyl 4-[[2-[3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]acetyl]oxymethyl]benzoate CAS Name: 4-[[1-oxo-2-[3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]ethoxy]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]acetyl]oxymethyl]benzoate Traditional Name: 4-[[2-[3-keto-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]acetyl]oxymethyl]benzoic acid methyl ester Formula: C20H16F3NO5S MolecularWeight: 439.40495

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)COC(=O)CC2C(=O)NC3=C(S2)C=CC(=C3)C(F)(F)F

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)COC(=O)CC2C(=O)NC3=C(S2)C=CC(=C3)C(F)(F)F

InChI

InChI=1S/C20H16F3NO5S/c1-28-19(27)12-4-2-11(3-5-12)10-29-17(25)9-16-18(26)24-14-8-13(20(21,22)23)6-7-15(14)30-16/h2-8,16H,9-10H2,1H3,(H,24,26)