[6-[(1-methylimidazol-2-yl)sulfanylmethyl]-4-oxidanylidene-pyran-3-yl] 2-(trifluoromethyl)benzoate

Systemtic Name: [6-[(1-methylimidazol-2-yl)sulfanylmethyl]-4-oxidanylidene-pyran-3-yl] 2-(trifluoromethyl)benzoate Openeye Name: [6-[(1-methylimidazol-2-yl)sulfanylmethyl]-4-oxo-pyran-3-yl] 2-(trifluoromethyl)benzoate CAS Name: 2-(trifluoromethyl)benzoic acid [6-[[(1-methyl-2-imidazolyl)thio]methyl]-4-oxo-3-pyranyl] ester IUPAC Name: [6-[(1-methylimidazol-2-yl)sulfanylmethyl]-4-oxopyran-3-yl] 2-(trifluoromethyl)benzoate Traditional Name: 2-(trifluoromethyl)benzoic acid [4-keto-6-[[(1-methylimidazol-2-yl)thio]methyl]pyran-3-yl] ester Formula: C18H13F3N2O4S MolecularWeight: 410.36703

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SCC2=CC(=O)C(=CO2)OC(=O)C3=CC=CC=C3C(F)(F)F

Isomeric SMILES

CN1C=CN=C1SCC2=CC(=O)C(=CO2)OC(=O)C3=CC=CC=C3C(F)(F)F

InChI

InChI=1S/C18H13F3N2O4S/c1-23-7-6-22-17(23)28-10-11-8-14(24)15(9-26-11)27-16(25)12-4-2-3-5-13(12)18(19,20)21/h2-9H,10H2,1H3