2-[3-(dimethylamino)-5-[[4,5,7-tris(fluoranyl)-1,3-benzothiazol-2-yl]methyl]phenyl]ethanoic acid chloride

Systemtic Name: 2-[3-(dimethylamino)-5-[[4,5,7-tris(fluoranyl)-1,3-benzothiazol-2-yl]methyl]phenyl]ethanoic acid chloride Openeye Name: 2-[3-(dimethylamino)-5-[(4,5,7-trifluoro-1,3-benzothiazol-2-yl)methyl]phenyl]acetic acid chloride CAS Name: 2-[3-(dimethylamino)-5-[(4,5,7-trifluoro-1,3-benzothiazol-2-yl)methyl]phenyl]acetic acid chloride IUPAC Name: 2-[3-(dimethylamino)-5-[(4,5,7-trifluoro-1,3-benzothiazol-2-yl)methyl]phenyl]acetic acid chloride Traditional Name: 2-[3-(dimethylamino)-5-[(4,5,7-trifluoro-1,3-benzothiazol-2-yl)methyl]phenyl]acetic acid chloride Formula: C18H15ClF3N2O2S- MolecularWeight: 415.83711

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC(=CC(=C1)CC(=O)O)CC2=NC3=C(C(=CC(=C3S2)F)F)F.[Cl-]

Isomeric SMILES

CN(C)C1=CC(=CC(=C1)CC(=O)O)CC2=NC3=C(C(=CC(=C3S2)F)F)F.[Cl-]

InChI

InChI=1S/C18H15F3N2O2S.ClH/c1-23(2)11-4-9(3-10(5-11)7-15(24)25)6-14-22-17-16(21)12(19)8-13(20)18(17)26-14;/h3-5,8H,6-7H2,1-2H3,(H,24,25);1H/p-1