ethyl (4R)-4-(3-nitro-4-oxidanyl-phenyl)-6-propyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl (4R)-4-(3-nitro-4-oxidanyl-phenyl)-6-propyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4R)-4-(4-hydroxy-3-nitro-phenyl)-6-propyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4R)-4-(4-hydroxy-3-nitrophenyl)-6-propyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4R)-4-(4-hydroxy-3-nitrophenyl)-6-propyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4R)-4-(4-hydroxy-3-nitro-phenyl)-6-propyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C16H19N3O5S MolecularWeight: 365.40416

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(NC(=S)N1)C2=CC(=C(C=C2)O)[N+](=O)[O-])C(=O)OCC

Isomeric SMILES

CCCC1=C([C@H](NC(=S)N1)C2=CC(=C(C=C2)O)[N+](=O)[O-])C(=O)OCC

InChI

InChI=1S/C16H19N3O5S/c1-3-5-10-13(15(21)24-4-2)14(18-16(25)17-10)9-6-7-12(20)11(8-9)19(22)23/h6-8,14,20H,3-5H2,1-2H3,(H2,17,18,25)/t14-/m1/s1