cyanomethyl 2-[3-oxidanylidene-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]ethanoate

Systemtic Name: cyanomethyl 2-[3-oxidanylidene-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]ethanoate Openeye Name: cyanomethyl 2-[3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]acetate CAS Name: 2-[3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]acetic acid cyanomethyl ester IUPAC Name: cyanomethyl 2-[3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]acetate Traditional Name: 2-[3-keto-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]acetic acid cyanomethyl ester Formula: C13H9F3N2O3S MolecularWeight: 330.28237

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1C(F)(F)F)NC(=O)C(S2)CC(=O)OCC#N

Isomeric SMILES

C1=CC2=C(C=C1C(F)(F)F)NC(=O)C(S2)CC(=O)OCC#N

InChI

InChI=1S/C13H9F3N2O3S/c14-13(15,16)7-1-2-9-8(5-7)18-12(20)10(22-9)6-11(19)21-4-3-17/h1-2,5,10H,4,6H2,(H,18,20)