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

Systemtic Name: ethyl (4S)-6-(3-methylsulfanylpropanoyloxymethyl)-2-oxidanylidene-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-6-(3-methylsulfanylpropanoyloxymethyl)-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-6-[[3-(methylthio)-1-oxopropoxy]methyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-6-(3-methylsulfanylpropanoyloxymethyl)-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-2-keto-6-[3-(methylthio)propanoyloxymethyl]-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C18H22N2O5S MolecularWeight: 378.44268

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2O5S/c1-3-24-17(22)15-13(11-25-14(21)9-10-26-2)19-18(23)20-16(15)12-7-5-4-6-8-12/h4-8,16H,3,9-11H2,1-2H3,(H2,19,20,23)/t16-/m0/s1