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

Systemtic Name: ethyl 2-[4-(cyanomethyl)-3-oxidanylidene-7-(trifluoromethyl)-1,4-benzothiazin-2-yl]ethanoate Openeye Name: ethyl 2-[4-(cyanomethyl)-3-oxo-7-(trifluoromethyl)-1,4-benzothiazin-2-yl]acetate CAS Name: 2-[4-(cyanomethyl)-3-oxo-7-(trifluoromethyl)-1,4-benzothiazin-2-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-(cyanomethyl)-3-oxo-7-(trifluoromethyl)-1,4-benzothiazin-2-yl]acetate Traditional Name: 2-[4-(cyanomethyl)-3-keto-7-(trifluoromethyl)-1,4-benzothiazin-2-yl]acetic acid ethyl ester Formula: C15H13F3N2O3S MolecularWeight: 358.33553

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1C(=O)N(C2=C(S1)C=C(C=C2)C(F)(F)F)CC#N

Isomeric SMILES

CCOC(=O)CC1C(=O)N(C2=C(S1)C=C(C=C2)C(F)(F)F)CC#N

InChI

InChI=1S/C15H13F3N2O3S/c1-2-23-13(21)8-12-14(22)20(6-5-19)10-4-3-9(15(16,17)18)7-11(10)24-12/h3-4,7,12H,2,6,8H2,1H3