(4-aminocarbonyl-2-nitro-phenyl)methyl 2-[3-oxidanylidene-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]ethanoate

Systemtic Name: (4-aminocarbonyl-2-nitro-phenyl)methyl 2-[3-oxidanylidene-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]ethanoate Openeye Name: (4-carbamoyl-2-nitro-phenyl)methyl 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 (4-carbamoyl-2-nitrophenyl)methyl ester IUPAC Name: (4-carbamoyl-2-nitrophenyl)methyl 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 (4-carbamoyl-2-nitro-benzyl) ester Formula: C19H14F3N3O6S MolecularWeight: 469.39117

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)N)[N+](=O)[O-])COC(=O)CC2C(=O)NC3=C(S2)C=CC(=C3)C(F)(F)F

Isomeric SMILES

C1=CC(=C(C=C1C(=O)N)[N+](=O)[O-])COC(=O)CC2C(=O)NC3=C(S2)C=CC(=C3)C(F)(F)F

InChI

InChI=1S/C19H14F3N3O6S/c20-19(21,22)11-3-4-14-12(6-11)24-18(28)15(32-14)7-16(26)31-8-10-2-1-9(17(23)27)5-13(10)25(29)30/h1-6,15H,7-8H2,(H2,23,27)(H,24,28)