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

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

CCOC(=O)C1=C(NC(=O)NC1C)COC(=O)CSC2=CC=C(C=C2)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)N[C@H]1C)COC(=O)CSC2=CC=C(C=C2)C

InChI

InChI=1S/C18H22N2O5S/c1-4-24-17(22)16-12(3)19-18(23)20-14(16)9-25-15(21)10-26-13-7-5-11(2)6-8-13/h5-8,12H,4,9-10H2,1-3H3,(H2,19,20,23)/t12-/m0/s1