4-[(4R)-5-ethoxycarbonyl-6-propyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl]-2-nitro-phenolate

Systemtic Name: 4-[(4R)-5-ethoxycarbonyl-6-propyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl]-2-nitro-phenolate Openeye Name: 4-[(4R)-5-ethoxycarbonyl-6-propyl-2-thioxo-3,4-dihydro-1H-pyrimidin-4-yl]-2-nitro-phenolate CAS Name: 4-[(4R)-5-ethoxycarbonyl-6-propyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl]-2-nitrophenolate IUPAC Name: 4-[(4R)-5-ethoxycarbonyl-6-propyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl]-2-nitrophenolate Traditional Name: 4-[(4R)-5-carbethoxy-6-propyl-2-thioxo-3,4-dihydro-1H-pyrimidin-4-yl]-2-nitro-phenolate Formula: C16H18N3O5S- MolecularWeight: 364.39622

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(NC(=S)N1)C2=CC(=C(C=C2)[O-])[N+](=O)[O-])C(=O)OCC

Isomeric SMILES

CCCC1=C([C@H](NC(=S)N1)C2=CC(=C(C=C2)[O-])[N+](=O)[O-])C(=O)OCC

InChI

InChI=1S/C16H19N3O5S/c1-3-5-10-13(15(21)24-4-2)14(18-16(25)17-10)9-6-7-12(20)11(8-9)19(22)23/h6-8,14,20H,3-5H2,1-2H3,(H2,17,18,25)/p-1/t14-/m1/s1