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

Systemtic Name: methyl 2-[6-sulfamoyl-2-[3-(trifluoromethyl)phenyl]carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[6-sulfamoyl-2-[3-(trifluoromethyl)benzoyl]imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[oxo-[3-(trifluoromethyl)phenyl]methyl]imino-6-sulfamoyl-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[6-sulfamoyl-2-[3-(trifluoromethyl)benzoyl]imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-sulfamoyl-2-[3-(trifluoromethyl)benzoyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C18H14F3N3O5S2 MolecularWeight: 473.44607

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C2=C(C=C(C=C2)S(=O)(=O)N)SC1=NC(=O)C3=CC(=CC=C3)C(F)(F)F

Isomeric SMILES

COC(=O)CN1C2=C(C=C(C=C2)S(=O)(=O)N)SC1=NC(=O)C3=CC(=CC=C3)C(F)(F)F

InChI

InChI=1S/C18H14F3N3O5S2/c1-29-15(25)9-24-13-6-5-12(31(22,27)28)8-14(13)30-17(24)23-16(26)10-3-2-4-11(7-10)18(19,20)21/h2-8H,9H2,1H3,(H2,22,27,28)