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

Systemtic Name: 4-[(4R)-6-methyl-5-phenylmethoxycarbonyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl]-2-nitro-phenolate Openeye Name: 4-[(4R)-5-benzyloxycarbonyl-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidin-4-yl]-2-nitro-phenolate CAS Name: 4-[(4R)-6-methyl-5-phenylmethoxycarbonyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl]-2-nitrophenolate IUPAC Name: 4-[(4R)-6-methyl-5-phenylmethoxycarbonyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl]-2-nitrophenolate Traditional Name: 4-[(4R)-5-carbobenzoxy-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidin-4-yl]-2-nitro-phenolate Formula: C19H16N3O5S- MolecularWeight: 398.41244

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1)C2=CC(=C(C=C2)[O-])[N+](=O)[O-])C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC1=C([C@H](NC(=S)N1)C2=CC(=C(C=C2)[O-])[N+](=O)[O-])C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C19H17N3O5S/c1-11-16(18(24)27-10-12-5-3-2-4-6-12)17(21-19(28)20-11)13-7-8-15(23)14(9-13)22(25)26/h2-9,17,23H,10H2,1H3,(H2,20,21,28)/p-1/t17-/m1/s1