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

Systemtic Name: methyl 3-[6-sulfamoyl-2-[3-(trifluoromethyl)phenyl]carbonylimino-1,3-benzothiazol-3-yl]propanoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C19H16F3N3O5S2 MolecularWeight: 487.47265

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC(=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/C19H16F3N3O5S2/c1-30-16(26)7-8-25-14-6-5-13(32(23,28)29)10-15(14)31-18(25)24-17(27)11-3-2-4-12(9-11)19(20,21)22/h2-6,9-10H,7-8H2,1H3,(H2,23,28,29)