ethyl (4R)-6-[2-(2-nitrophenyl)ethanoyloxymethyl]-2-oxidanylidene-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl (4R)-6-[2-(2-nitrophenyl)ethanoyloxymethyl]-2-oxidanylidene-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4R)-6-[[2-(2-nitrophenyl)acetyl]oxymethyl]-2-oxo-4-(2-thienyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4R)-6-[[2-(2-nitrophenyl)-1-oxoethoxy]methyl]-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4R)-6-[[2-(2-nitrophenyl)acetyl]oxymethyl]-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4R)-2-keto-6-[[2-(2-nitrophenyl)acetyl]oxymethyl]-4-(2-thienyl)-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C20H19N3O7S MolecularWeight: 445.44576

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC=CS2)COC(=O)CC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)N[C@H]1C2=CC=CS2)COC(=O)CC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C20H19N3O7S/c1-2-29-19(25)17-13(21-20(26)22-18(17)15-8-5-9-31-15)11-30-16(24)10-12-6-3-4-7-14(12)23(27)28/h3-9,18H,2,10-11H2,1H3,(H2,21,22,26)/t18-/m0/s1