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

Systemtic Name: 4-[(4R)-5-ethanoyl-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl]-2-ethoxy-6-nitro-phenolate Openeye Name: 4-[(4R)-5-acetyl-6-phenyl-2-thioxo-3,4-dihydro-1H-pyrimidin-4-yl]-2-ethoxy-6-nitro-phenolate CAS Name: 4-[(4R)-5-acetyl-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl]-2-ethoxy-6-nitrophenolate IUPAC Name: 4-[(4R)-5-acetyl-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl]-2-ethoxy-6-nitrophenolate Traditional Name: 4-[(4R)-5-acetyl-6-phenyl-2-thioxo-3,4-dihydro-1H-pyrimidin-4-yl]-2-ethoxy-6-nitro-phenolate Formula: C20H18N3O5S- MolecularWeight: 412.43902

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1[O-])[N+](=O)[O-])C2C(=C(NC(=S)N2)C3=CC=CC=C3)C(=O)C

Isomeric SMILES

CCOC1=CC(=CC(=C1[O-])[N+](=O)[O-])[C@@H]2C(=C(NC(=S)N2)C3=CC=CC=C3)C(=O)C

InChI

InChI=1S/C20H19N3O5S/c1-3-28-15-10-13(9-14(19(15)25)23(26)27)18-16(11(2)24)17(21-20(29)22-18)12-7-5-4-6-8-12/h4-10,18,25H,3H2,1-2H3,(H2,21,22,29)/p-1/t18-/m1/s1