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

Systemtic Name: ethyl 3-[6-sulfamoyl-2-[3-(trifluoromethyl)phenyl]carbonylimino-1,3-benzothiazol-3-yl]propanoate Openeye Name: ethyl 3-[6-sulfamoyl-2-[3-(trifluoromethyl)benzoyl]imino-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[2-[oxo-[3-(trifluoromethyl)phenyl]methyl]imino-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[6-sulfamoyl-2-[3-(trifluoromethyl)benzoyl]imino-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-[6-sulfamoyl-2-[3-(trifluoromethyl)benzoyl]imino-1,3-benzothiazol-3-yl]propionic acid ethyl ester Formula: C20H18F3N3O5S2 MolecularWeight: 501.49923

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN1C2=C(C=C(C=C2)S(=O)(=O)N)SC1=NC(=O)C3=CC(=CC=C3)C(F)(F)F

Isomeric SMILES

CCOC(=O)CCN1C2=C(C=C(C=C2)S(=O)(=O)N)SC1=NC(=O)C3=CC(=CC=C3)C(F)(F)F

InChI

InChI=1S/C20H18F3N3O5S2/c1-2-31-17(27)8-9-26-15-7-6-14(33(24,29)30)11-16(15)32-19(26)25-18(28)12-4-3-5-13(10-12)20(21,22)23/h3-7,10-11H,2,8-9H2,1H3,(H2,24,29,30)