[6-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-4-oxidanylidene-pyran-3-yl] 4-bromanylbenzoate

Systemtic Name: [6-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-4-oxidanylidene-pyran-3-yl] 4-bromanylbenzoate Openeye Name: [6-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-4-oxo-pyran-3-yl] 4-bromobenzoate CAS Name: 4-bromobenzoic 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] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [4-keto-6-[[(4-methylpyrimidin-2-yl)thio]methyl]pyran-3-yl] ester Formula: C18H13BrN2O4S MolecularWeight: 433.27582

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H13BrN2O4S/c1-11-6-7-20-18(21-11)26-10-14-8-15(22)16(9-24-14)25-17(23)12-2-4-13(19)5-3-12/h2-9H,10H2,1H3