methyl 3-(1,3-benzothiazol-2-yl)-4,4,4-tris(fluoranyl)-2-methylidene-3-oxidanyl-butanoate

Systemtic Name: methyl 3-(1,3-benzothiazol-2-yl)-4,4,4-tris(fluoranyl)-2-methylidene-3-oxidanyl-butanoate Openeye Name: methyl 3-(1,3-benzothiazol-2-yl)-4,4,4-trifluoro-3-hydroxy-2-methylene-butanoate CAS Name: 3-(1,3-benzothiazol-2-yl)-4,4,4-trifluoro-3-hydroxy-2-methylenebutanoic acid methyl ester IUPAC Name: methyl 3-(1,3-benzothiazol-2-yl)-4,4,4-trifluoro-3-hydroxy-2-methylidenebutanoate Traditional Name: 2-[1-(1,3-benzothiazol-2-yl)-2,2,2-trifluoro-1-hydroxy-ethyl]acrylic acid methyl ester Formula: C13H10F3NO3S MolecularWeight: 317.28361

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=C)C(C1=NC2=CC=CC=C2S1)(C(F)(F)F)O

Isomeric SMILES

COC(=O)C(=C)C(C1=NC2=CC=CC=C2S1)(C(F)(F)F)O

InChI

InChI=1S/C13H10F3NO3S/c1-7(10(18)20-2)12(19,13(14,15)16)11-17-8-5-3-4-6-9(8)21-11/h3-6,19H,1H2,2H3