[6-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-4-oxidanylidene-pyran-3-yl] 2,6-bis(fluoranyl)benzoate

Systemtic Name: [6-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-4-oxidanylidene-pyran-3-yl] 2,6-bis(fluoranyl)benzoate Openeye Name: [6-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-4-oxo-pyran-3-yl] 2,6-difluorobenzoate CAS Name: 2,6-difluorobenzoic acid [6-[[(4-methyl-2-pyrimidinyl)thio]methyl]-4-oxo-3-pyranyl] ester IUPAC Name: [6-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-4-oxopyran-3-yl] 2,6-difluorobenzoate Traditional Name: 2,6-difluorobenzoic acid [4-keto-6-[[(4-methylpyrimidin-2-yl)thio]methyl]pyran-3-yl] ester Formula: C18H12F2N2O4S MolecularWeight: 390.360686

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1)SCC2=CC(=O)C(=CO2)OC(=O)C3=C(C=CC=C3F)F

Isomeric SMILES

CC1=NC(=NC=C1)SCC2=CC(=O)C(=CO2)OC(=O)C3=C(C=CC=C3F)F

InChI

InChI=1S/C18H12F2N2O4S/c1-10-5-6-21-18(22-10)27-9-11-7-14(23)15(8-25-11)26-17(24)16-12(19)3-2-4-13(16)20/h2-8H,9H2,1H3