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

Systemtic Name: ethyl (4S)-4-ethyl-2-oxidanylidene-6-(2-phenylsulfanylethanoyloxymethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-4-ethyl-2-oxo-6-[(2-phenylsulfanylacetyl)oxymethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-4-ethyl-2-oxo-6-[[1-oxo-2-(phenylthio)ethoxy]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-4-ethyl-2-oxo-6-[(2-phenylsulfanylacetyl)oxymethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-4-ethyl-2-keto-6-[[2-(phenylthio)acetyl]oxymethyl]-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:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2O5S/c1-3-13-16(17(22)24-4-2)14(20-18(23)19-13)10-25-15(21)11-26-12-8-6-5-7-9-12/h5-9,13H,3-4,10-11H2,1-2H3,(H2,19,20,23)/t13-/m0/s1