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

Systemtic Name: 2-methoxy-4-[(4R)-6-methyl-5-(2-methylsulfanylethoxycarbonyl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidin-4-yl]-6-nitro-phenolate Openeye Name: 2-methoxy-4-[(4R)-6-methyl-5-(2-methylsulfanylethoxycarbonyl)-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl]-6-nitro-phenolate CAS Name: 2-methoxy-4-[(4R)-6-methyl-5-[2-(methylthio)ethoxy-oxomethyl]-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl]-6-nitrophenolate IUPAC Name: 2-methoxy-4-[(4R)-6-methyl-5-(2-methylsulfanylethoxycarbonyl)-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl]-6-nitrophenolate Traditional Name: 4-[(4R)-2-keto-6-methyl-5-[2-(methylthio)ethoxycarbonyl]-3,4-dihydro-1H-pyrimidin-4-yl]-2-methoxy-6-nitro-phenolate Formula: C16H18N3O7S- MolecularWeight: 396.39502

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N3O7S/c1-8-12(15(21)26-4-5-27-3)13(18-16(22)17-8)9-6-10(19(23)24)14(20)11(7-9)25-2/h6-7,13,20H,4-5H2,1-3H3,(H2,17,18,22)/p-1/t13-/m1/s1