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

Systemtic Name: [3-(trifluoromethyl)phenyl]methyl 3-(1,3-benzothiazol-2-yl)propanoate Openeye Name: [3-(trifluoromethyl)phenyl]methyl 3-(1,3-benzothiazol-2-yl)propanoate CAS Name: 3-(1,3-benzothiazol-2-yl)propanoic acid [3-(trifluoromethyl)phenyl]methyl ester IUPAC Name: [3-(trifluoromethyl)phenyl]methyl 3-(1,3-benzothiazol-2-yl)propanoate Traditional Name: 3-(1,3-benzothiazol-2-yl)propionic acid [3-(trifluoromethyl)benzyl] ester Formula: C18H14F3NO2S MolecularWeight: 365.36947

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)CCC(=O)OCC3=CC(=CC=C3)C(F)(F)F

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)CCC(=O)OCC3=CC(=CC=C3)C(F)(F)F

InChI

InChI=1S/C18H14F3NO2S/c19-18(20,21)13-5-3-4-12(10-13)11-24-17(23)9-8-16-22-14-6-1-2-7-15(14)25-16/h1-7,10H,8-9,11H2