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

Systemtic Name: 4-[(4S)-5-methoxycarbonyl-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl]-2-nitro-phenolate Openeye Name: 4-[(4S)-5-methoxycarbonyl-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidin-4-yl]-2-nitro-phenolate CAS Name: 4-[(4S)-5-methoxycarbonyl-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl]-2-nitrophenolate IUPAC Name: 4-[(4S)-5-methoxycarbonyl-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl]-2-nitrophenolate Traditional Name: 4-[(4S)-5-carbomethoxy-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidin-4-yl]-2-nitro-phenolate Formula: C13H12N3O5S- MolecularWeight: 322.31648

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13N3O5S/c1-6-10(12(18)21-2)11(15-13(22)14-6)7-3-4-9(17)8(5-7)16(19)20/h3-5,11,17H,1-2H3,(H2,14,15,22)/p-1/t11-/m0/s1