ethyl N-methyl-N-[[7-nitro-2-oxidanylidene-5-(trifluoromethyl)-1,3-benzothiazol-3-yl]carbonyl]carbamate

Systemtic Name: ethyl N-methyl-N-[[7-nitro-2-oxidanylidene-5-(trifluoromethyl)-1,3-benzothiazol-3-yl]carbonyl]carbamate Openeye Name: ethyl N-methyl-N-[7-nitro-2-oxo-5-(trifluoromethyl)-1,3-benzothiazole-3-carbonyl]carbamate CAS Name: N-methyl-N-[[7-nitro-2-oxo-5-(trifluoromethyl)-1,3-benzothiazol-3-yl]-oxomethyl]carbamic acid ethyl ester IUPAC Name: ethyl N-methyl-N-[7-nitro-2-oxo-5-(trifluoromethyl)-1,3-benzothiazole-3-carbonyl]carbamate Traditional Name: N-[2-keto-7-nitro-5-(trifluoromethyl)-1,3-benzothiazole-3-carbonyl]-N-methyl-carbamic acid ethyl ester Formula: C13H10F3N3O6S MolecularWeight: 393.29521

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N(C)C(=O)N1C2=C(C(=CC(=C2)C(F)(F)F)[N+](=O)[O-])SC1=O

Isomeric SMILES

CCOC(=O)N(C)C(=O)N1C2=C(C(=CC(=C2)C(F)(F)F)[N+](=O)[O-])SC1=O

InChI

InChI=1S/C13H10F3N3O6S/c1-3-25-11(21)17(2)10(20)18-7-4-6(13(14,15)16)5-8(19(23)24)9(7)26-12(18)22/h4-5H,3H2,1-2H3