ethyl 2-[3-oxidanylidene-7-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]ethanoate

Systemtic Name: ethyl 2-[3-oxidanylidene-7-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]ethanoate Openeye Name: ethyl 2-[3-oxo-7-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]acetate CAS Name: 2-[3-oxo-7-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[3-oxo-7-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]acetate Traditional Name: 2-[3-keto-7-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]acetic acid ethyl ester Formula: C13H12F3NO3S MolecularWeight: 319.29949

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1C(=O)NC2=C(S1)C=C(C=C2)C(F)(F)F

Isomeric SMILES

CCOC(=O)CC1C(=O)NC2=C(S1)C=C(C=C2)C(F)(F)F

InChI

InChI=1S/C13H12F3NO3S/c1-2-20-11(18)6-10-12(19)17-8-4-3-7(13(14,15)16)5-9(8)21-10/h3-5,10H,2,6H2,1H3,(H,17,19)