4-[(4R)-5-(2-ethylsulfanylethoxycarbonyl)-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidin-4-yl]-2-nitro-phenolate

Systemtic Name: 4-[(4R)-5-(2-ethylsulfanylethoxycarbonyl)-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidin-4-yl]-2-nitro-phenolate Openeye Name: 4-[(4R)-5-(2-ethylsulfanylethoxycarbonyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl]-2-nitro-phenolate CAS Name: 4-[(4R)-5-[2-(ethylthio)ethoxy-oxomethyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl]-2-nitrophenolate IUPAC Name: 4-[(4R)-5-(2-ethylsulfanylethoxycarbonyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl]-2-nitrophenolate Traditional Name: 4-[(4R)-5-[2-(ethylthio)ethoxycarbonyl]-2-keto-6-methyl-3,4-dihydro-1H-pyrimidin-4-yl]-2-nitro-phenolate Formula: C16H18N3O6S- MolecularWeight: 380.39562

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Descriptors Computed from Structure

Canonical SMILES:

CCSCCOC(=O)C1=C(NC(=O)NC1C2=CC(=C(C=C2)[O-])[N+](=O)[O-])C

Isomeric SMILES

CCSCCOC(=O)C1=C(NC(=O)N[C@@H]1C2=CC(=C(C=C2)[O-])[N+](=O)[O-])C

InChI

InChI=1S/C16H19N3O6S/c1-3-26-7-6-25-15(21)13-9(2)17-16(22)18-14(13)10-4-5-12(20)11(8-10)19(23)24/h4-5,8,14,20H,3,6-7H2,1-2H3,(H2,17,18,22)/p-1/t14-/m1/s1