2,6-bis(bromanyl)-4-[(4S)-5-ethoxycarbonyl-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl]phenolate

Systemtic Name: 2,6-bis(bromanyl)-4-[(4S)-5-ethoxycarbonyl-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl]phenolate Openeye Name: 2,6-dibromo-4-[(4S)-5-ethoxycarbonyl-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidin-4-yl]phenolate CAS Name: 2,6-dibromo-4-[(4S)-5-ethoxycarbonyl-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl]phenolate IUPAC Name: 2,6-dibromo-4-[(4S)-5-ethoxycarbonyl-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl]phenolate Traditional Name: 2,6-dibromo-4-[(4S)-5-carbethoxy-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidin-4-yl]phenolate Formula: C14H13Br2N2O3S- MolecularWeight: 449.13762

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=S)NC1C2=CC(=C(C(=C2)Br)[O-])Br)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=S)N[C@H]1C2=CC(=C(C(=C2)Br)[O-])Br)C

InChI

InChI=1S/C14H14Br2N2O3S/c1-3-21-13(20)10-6(2)17-14(22)18-11(10)7-4-8(15)12(19)9(16)5-7/h4-5,11,19H,3H2,1-2H3,(H2,17,18,22)/p-1/t11-/m0/s1