ethyl (4S)-6-[2-(2,4-dimethylphenyl)sulfanylethanoyloxymethyl]-4-ethyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl (4S)-6-[2-(2,4-dimethylphenyl)sulfanylethanoyloxymethyl]-4-ethyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-6-[[2-(2,4-dimethylphenyl)sulfanylacetyl]oxymethyl]-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-6-[[2-[(2,4-dimethylphenyl)thio]-1-oxoethoxy]methyl]-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-6-[[2-(2,4-dimethylphenyl)sulfanylacetyl]oxymethyl]-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-6-[[2-[(2,4-dimethylphenyl)thio]acetyl]oxymethyl]-4-ethyl-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C20H26N2O5S MolecularWeight: 406.49584

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=C(NC(=O)N1)COC(=O)CSC2=C(C=C(C=C2)C)C)C(=O)OCC

Isomeric SMILES

CC[C@H]1C(=C(NC(=O)N1)COC(=O)CSC2=C(C=C(C=C2)C)C)C(=O)OCC

InChI

InChI=1S/C20H26N2O5S/c1-5-14-18(19(24)26-6-2)15(22-20(25)21-14)10-27-17(23)11-28-16-8-7-12(3)9-13(16)4/h7-9,14H,5-6,10-11H2,1-4H3,(H2,21,22,25)/t14-/m0/s1