ethyl 2-cyano-2-[3-cyano-1,1-bis(oxidanylidene)-2-[[2,3,4,5,6-pentakis(fluoranyl)phenyl]methyl]-1,2-benzothiazol-3-yl]ethanoate

Systemtic Name: ethyl 2-cyano-2-[3-cyano-1,1-bis(oxidanylidene)-2-[[2,3,4,5,6-pentakis(fluoranyl)phenyl]methyl]-1,2-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-cyano-2-[3-cyano-1,1-dioxo-2-[(2,3,4,5,6-pentafluorophenyl)methyl]-1,2-benzothiazol-3-yl]acetate CAS Name: 2-cyano-2-[3-cyano-1,1-dioxo-2-[(2,3,4,5,6-pentafluorophenyl)methyl]-1,2-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-cyano-2-[3-cyano-1,1-dioxo-2-[(2,3,4,5,6-pentafluorophenyl)methyl]-1,2-benzothiazol-3-yl]acetate Traditional Name: 2-cyano-2-[3-cyano-1,1-diketo-2-(2,3,4,5,6-pentafluorobenzyl)-1,2-benzothiazol-3-yl]acetic acid ethyl ester Formula: C20H12F5N3O4S MolecularWeight: 485.383996

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C#N)C1(C2=CC=CC=C2S(=O)(=O)N1CC3=C(C(=C(C(=C3F)F)F)F)F)C#N

Isomeric SMILES

CCOC(=O)C(C#N)C1(C2=CC=CC=C2S(=O)(=O)N1CC3=C(C(=C(C(=C3F)F)F)F)F)C#N

InChI

InChI=1S/C20H12F5N3O4S/c1-2-32-19(29)12(7-26)20(9-27)11-5-3-4-6-13(11)33(30,31)28(20)8-10-14(21)16(23)18(25)17(24)15(10)22/h3-6,12H,2,8H2,1H3