ethyl (4S)-6-[[4-(4-chlorophenyl)-4-oxidanylidene-butanoyl]oxymethyl]-4-ethyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl (4S)-6-[[4-(4-chlorophenyl)-4-oxidanylidene-butanoyl]oxymethyl]-4-ethyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-6-[[4-(4-chlorophenyl)-4-oxo-butanoyl]oxymethyl]-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-6-[[4-(4-chlorophenyl)-1,4-dioxobutoxy]methyl]-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-6-[[4-(4-chlorophenyl)-4-oxobutanoyl]oxymethyl]-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-6-[[4-(4-chlorophenyl)-4-keto-butanoyl]oxymethyl]-4-ethyl-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C20H23ClN2O6 MolecularWeight: 422.85942

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=C(NC(=O)N1)COC(=O)CCC(=O)C2=CC=C(C=C2)Cl)C(=O)OCC

Isomeric SMILES

CC[C@H]1C(=C(NC(=O)N1)COC(=O)CCC(=O)C2=CC=C(C=C2)Cl)C(=O)OCC

InChI

InChI=1S/C20H23ClN2O6/c1-3-14-18(19(26)28-4-2)15(23-20(27)22-14)11-29-17(25)10-9-16(24)12-5-7-13(21)8-6-12/h5-8,14H,3-4,9-11H2,1-2H3,(H2,22,23,27)/t14-/m0/s1