ethyl 2-[6-nitro-2-[3-(trifluoromethyl)phenyl]carbonylimino-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[6-nitro-2-[3-(trifluoromethyl)phenyl]carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[6-nitro-2-[3-(trifluoromethyl)benzoyl]imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-nitro-2-[oxo-[3-(trifluoromethyl)phenyl]methyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[6-nitro-2-[3-(trifluoromethyl)benzoyl]imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-nitro-2-[3-(trifluoromethyl)benzoyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C19H14F3N3O5S MolecularWeight: 453.39177

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)C3=CC(=CC=C3)C(F)(F)F

Isomeric SMILES

CCOC(=O)CN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)C3=CC(=CC=C3)C(F)(F)F

InChI

InChI=1S/C19H14F3N3O5S/c1-2-30-16(26)10-24-14-7-6-13(25(28)29)9-15(14)31-18(24)23-17(27)11-4-3-5-12(8-11)19(20,21)22/h3-9H,2,10H2,1H3