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

Systemtic Name: 2-[(4S)-5-ethoxycarbonyl-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl]-6-methoxy-4-nitro-phenolate Openeye Name: 2-[(4S)-5-ethoxycarbonyl-6-phenyl-2-thioxo-3,4-dihydro-1H-pyrimidin-4-yl]-6-methoxy-4-nitro-phenolate CAS Name: 2-[(4S)-5-ethoxycarbonyl-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl]-6-methoxy-4-nitrophenolate IUPAC Name: 2-[(4S)-5-ethoxycarbonyl-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl]-6-methoxy-4-nitrophenolate Traditional Name: 2-[(4S)-5-carbethoxy-6-phenyl-2-thioxo-3,4-dihydro-1H-pyrimidin-4-yl]-6-methoxy-4-nitro-phenolate Formula: C20H18N3O6S- MolecularWeight: 428.43842

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=S)NC1C2=CC(=CC(=C2[O-])OC)[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(NC(=S)N[C@H]1C2=CC(=CC(=C2[O-])OC)[N+](=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C20H19N3O6S/c1-3-29-19(25)15-16(11-7-5-4-6-8-11)21-20(30)22-17(15)13-9-12(23(26)27)10-14(28-2)18(13)24/h4-10,17,24H,3H2,1-2H3,(H2,21,22,30)/p-1/t17-/m0/s1