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

Systemtic Name: ethyl (4S)-4-ethyl-2-oxidanylidene-6-[[2-(2-oxidanylidenepropylsulfanyl)phenyl]carbonyloxymethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-6-[(2-acetonylsulfanylbenzoyl)oxymethyl]-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-4-ethyl-2-oxo-6-[[oxo-[2-(2-oxopropylthio)phenyl]methoxy]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-4-ethyl-2-oxo-6-[[2-(2-oxopropylsulfanyl)benzoyl]oxymethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-6-[[2-(acetonylthio)benzoyl]oxymethyl]-4-ethyl-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C20H24N2O6S MolecularWeight: 420.47936

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=C(NC(=O)N1)COC(=O)C2=CC=CC=C2SCC(=O)C)C(=O)OCC

Isomeric SMILES

CC[C@H]1C(=C(NC(=O)N1)COC(=O)C2=CC=CC=C2SCC(=O)C)C(=O)OCC

InChI

InChI=1S/C20H24N2O6S/c1-4-14-17(19(25)27-5-2)15(22-20(26)21-14)10-28-18(24)13-8-6-7-9-16(13)29-11-12(3)23/h6-9,14H,4-5,10-11H2,1-3H3,(H2,21,22,26)/t14-/m0/s1