phenyl 2-[2-[2-oxidanylidene-6-(phenylcarbonyl)-1,3-benzothiazol-3-yl]ethoxy]-2-[2,2,2-tris(fluoranyl)ethoxy]propanoate

Systemtic Name: phenyl 2-[2-[2-oxidanylidene-6-(phenylcarbonyl)-1,3-benzothiazol-3-yl]ethoxy]-2-[2,2,2-tris(fluoranyl)ethoxy]propanoate Openeye Name: phenyl 2-[2-(6-benzoyl-2-oxo-1,3-benzothiazol-3-yl)ethoxy]-2-(2,2,2-trifluoroethoxy)propanoate CAS Name: 2-[2-(6-benzoyl-2-oxo-1,3-benzothiazol-3-yl)ethoxy]-2-(2,2,2-trifluoroethoxy)propanoic acid phenyl ester IUPAC Name: phenyl 2-[2-(6-benzoyl-2-oxo-1,3-benzothiazol-3-yl)ethoxy]-2-(2,2,2-trifluoroethoxy)propanoate Traditional Name: 2-[2-(6-benzoyl-2-keto-1,3-benzothiazol-3-yl)ethoxy]-2-(2,2,2-trifluoroethoxy)propionic acid phenyl ester Formula: C27H22F3NO6S MolecularWeight: 545.52689

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC1=CC=CC=C1)(OCCN2C3=C(C=C(C=C3)C(=O)C4=CC=CC=C4)SC2=O)OCC(F)(F)F

Isomeric SMILES

CC(C(=O)OC1=CC=CC=C1)(OCCN2C3=C(C=C(C=C3)C(=O)C4=CC=CC=C4)SC2=O)OCC(F)(F)F

InChI

InChI=1S/C27H22F3NO6S/c1-26(36-17-27(28,29)30,24(33)37-20-10-6-3-7-11-20)35-15-14-31-21-13-12-19(16-22(21)38-25(31)34)23(32)18-8-4-2-5-9-18/h2-13,16H,14-15,17H2,1H3