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

Systemtic Name: methyl 4-[2-[3-oxidanylidene-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]ethanoylamino]butanoate Openeye Name: methyl 4-[[2-[3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]acetyl]amino]butanoate CAS Name: 4-[[1-oxo-2-[3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]ethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[2-[3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]acetyl]amino]butanoate Traditional Name: 4-[[2-[3-keto-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]acetyl]amino]butyric acid methyl ester Formula: C16H17F3N2O4S MolecularWeight: 390.37739

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCNC(=O)CC1C(=O)NC2=C(S1)C=CC(=C2)C(F)(F)F

Isomeric SMILES

COC(=O)CCCNC(=O)CC1C(=O)NC2=C(S1)C=CC(=C2)C(F)(F)F

InChI

InChI=1S/C16H17F3N2O4S/c1-25-14(23)3-2-6-20-13(22)8-12-15(24)21-10-7-9(16(17,18)19)4-5-11(10)26-12/h4-5,7,12H,2-3,6,8H2,1H3,(H,20,22)(H,21,24)