ethyl (4S)-4-(4-chlorophenyl)-6-(3-methylsulfanylpropanoyloxymethyl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl (4S)-4-(4-chlorophenyl)-6-(3-methylsulfanylpropanoyloxymethyl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-4-(4-chlorophenyl)-6-(3-methylsulfanylpropanoyloxymethyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-4-(4-chlorophenyl)-6-[[3-(methylthio)-1-oxopropoxy]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-4-(4-chlorophenyl)-6-(3-methylsulfanylpropanoyloxymethyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-4-(4-chlorophenyl)-2-keto-6-[3-(methylthio)propanoyloxymethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C18H21ClN2O5S MolecularWeight: 412.88774

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC=C(C=C2)Cl)COC(=O)CCSC

Isomeric SMILES

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

InChI

InChI=1S/C18H21ClN2O5S/c1-3-25-17(23)15-13(10-26-14(22)8-9-27-2)20-18(24)21-16(15)11-4-6-12(19)7-5-11/h4-7,16H,3,8-10H2,1-2H3,(H2,20,21,24)/t16-/m0/s1