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

Systemtic Name: ethyl (4S)-4-(4-chlorophenyl)-6-[(2-methylsulfanylpyridin-3-yl)carbonyloxymethyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-4-(4-chlorophenyl)-6-[(2-methylsulfanylpyridine-3-carbonyl)oxymethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-4-(4-chlorophenyl)-6-[[[2-(methylthio)-3-pyridinyl]-oxomethoxy]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-4-(4-chlorophenyl)-6-[(2-methylsulfanylpyridine-3-carbonyl)oxymethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-4-(4-chlorophenyl)-2-keto-6-[[2-(methylthio)nicotinoyl]oxymethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C21H20ClN3O5S MolecularWeight: 461.9186

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC=C(C=C2)Cl)COC(=O)C3=C(N=CC=C3)SC

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)N[C@H]1C2=CC=C(C=C2)Cl)COC(=O)C3=C(N=CC=C3)SC

InChI

InChI=1S/C21H20ClN3O5S/c1-3-29-20(27)16-15(11-30-19(26)14-5-4-10-23-18(14)31-2)24-21(28)25-17(16)12-6-8-13(22)9-7-12/h4-10,17H,3,11H2,1-2H3,(H2,24,25,28)/t17-/m0/s1