2-[2-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]sulfanylmethyl]phenyl]ethanoate

Systemtic Name: 2-[2-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]sulfanylmethyl]phenyl]ethanoate Openeye Name: 2-[2-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]sulfanylmethyl]phenyl]acetate CAS Name: 2-[2-[[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]thio]methyl]phenyl]acetate IUPAC Name: 2-[2-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]sulfanylmethyl]phenyl]acetate Traditional Name: 2-[2-[[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]thio]methyl]phenyl]acetate Formula: C17H11F3NO2S2- MolecularWeight: 382.39995

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CC(=O)[O-])CSC2=NC3=C(S2)C=CC(=C3)C(F)(F)F

Isomeric SMILES

C1=CC=C(C(=C1)CC(=O)[O-])CSC2=NC3=C(S2)C=CC(=C3)C(F)(F)F

InChI

InChI=1S/C17H12F3NO2S2/c18-17(19,20)12-5-6-14-13(8-12)21-16(25-14)24-9-11-4-2-1-3-10(11)7-15(22)23/h1-6,8H,7,9H2,(H,22,23)/p-1