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

Systemtic Name: 4-[(4S)-5-ethoxycarbonyl-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl]-2-nitro-phenolate Openeye Name: 4-[(4S)-5-ethoxycarbonyl-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidin-4-yl]-2-nitro-phenolate CAS Name: 4-[(4S)-5-ethoxycarbonyl-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl]-2-nitrophenolate IUPAC Name: 4-[(4S)-5-ethoxycarbonyl-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl]-2-nitrophenolate Traditional Name: 4-[(4S)-5-carbethoxy-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidin-4-yl]-2-nitro-phenolate Formula: C14H14N3O5S- MolecularWeight: 336.34306

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15N3O5S/c1-3-22-13(19)11-7(2)15-14(23)16-12(11)8-4-5-10(18)9(6-8)17(20)21/h4-6,12,18H,3H2,1-2H3,(H2,15,16,23)/p-1/t12-/m0/s1