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

Systemtic Name: 4-[(4R)-6-methyl-5-(2-methylsulfanylethoxycarbonyl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidin-4-yl]-2-nitro-phenolate Openeye Name: 4-[(4R)-6-methyl-5-(2-methylsulfanylethoxycarbonyl)-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl]-2-nitro-phenolate CAS Name: 4-[(4R)-6-methyl-5-[2-(methylthio)ethoxy-oxomethyl]-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl]-2-nitrophenolate IUPAC Name: 4-[(4R)-6-methyl-5-(2-methylsulfanylethoxycarbonyl)-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl]-2-nitrophenolate Traditional Name: 4-[(4R)-2-keto-6-methyl-5-[2-(methylthio)ethoxycarbonyl]-3,4-dihydro-1H-pyrimidin-4-yl]-2-nitro-phenolate Formula: C15H16N3O6S- MolecularWeight: 366.36904

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=O)N1)C2=CC(=C(C=C2)[O-])[N+](=O)[O-])C(=O)OCCSC

Isomeric SMILES

CC1=C([C@H](NC(=O)N1)C2=CC(=C(C=C2)[O-])[N+](=O)[O-])C(=O)OCCSC

InChI

InChI=1S/C15H17N3O6S/c1-8-12(14(20)24-5-6-25-2)13(17-15(21)16-8)9-3-4-11(19)10(7-9)18(22)23/h3-4,7,13,19H,5-6H2,1-2H3,(H2,16,17,21)/p-1/t13-/m1/s1