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

Systemtic Name: ethyl 2-[6-acetamido-2-[3-(trifluoromethyl)phenyl]carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[6-acetamido-2-[3-(trifluoromethyl)benzoyl]imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-acetamido-2-[oxo-[3-(trifluoromethyl)phenyl]methyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[6-acetamido-2-[3-(trifluoromethyl)benzoyl]imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-acetamido-2-[3-(trifluoromethyl)benzoyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C21H18F3N3O4S MolecularWeight: 465.44553

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(C=C(C=C2)NC(=O)C)SC1=NC(=O)C3=CC(=CC=C3)C(F)(F)F

Isomeric SMILES

CCOC(=O)CN1C2=C(C=C(C=C2)NC(=O)C)SC1=NC(=O)C3=CC(=CC=C3)C(F)(F)F

InChI

InChI=1S/C21H18F3N3O4S/c1-3-31-18(29)11-27-16-8-7-15(25-12(2)28)10-17(16)32-20(27)26-19(30)13-5-4-6-14(9-13)21(22,23)24/h4-10H,3,11H2,1-2H3,(H,25,28)