2-[4-bromanyl-2-[(4R)-5-ethanoyl-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl]phenoxy]ethanoate

Systemtic Name: 2-[4-bromanyl-2-[(4R)-5-ethanoyl-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl]phenoxy]ethanoate Openeye Name: 2-[2-[(4R)-5-acetyl-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidin-4-yl]-4-bromo-phenoxy]acetate CAS Name: 2-[2-[(4R)-5-acetyl-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl]-4-bromophenoxy]acetate IUPAC Name: 2-[2-[(4R)-5-acetyl-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl]-4-bromophenoxy]acetate Traditional Name: 2-[2-[(4R)-5-acetyl-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidin-4-yl]-4-bromo-phenoxy]acetate Formula: C15H14BrN2O4S- MolecularWeight: 398.25166

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1)C2=C(C=CC(=C2)Br)OCC(=O)[O-])C(=O)C

Isomeric SMILES

CC1=C([C@H](NC(=S)N1)C2=C(C=CC(=C2)Br)OCC(=O)[O-])C(=O)C

InChI

InChI=1S/C15H15BrN2O4S/c1-7-13(8(2)19)14(18-15(23)17-7)10-5-9(16)3-4-11(10)22-6-12(20)21/h3-5,14H,6H2,1-2H3,(H,20,21)(H2,17,18,23)/p-1/t14-/m1/s1