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

Systemtic Name: ethyl (4S)-4-ethyl-6-[2-(2-methylphenyl)sulfanylethanoyloxymethyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-4-ethyl-6-[[2-(o-tolylsulfanyl)acetyl]oxymethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-4-ethyl-6-[[2-[(2-methylphenyl)thio]-1-oxoethoxy]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-4-ethyl-6-[[2-(2-methylphenyl)sulfanylacetyl]oxymethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-4-ethyl-2-keto-6-[[2-(o-tolylthio)acetyl]oxymethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C19H24N2O5S MolecularWeight: 392.46926

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=C(NC(=O)N1)COC(=O)CSC2=CC=CC=C2C)C(=O)OCC

Isomeric SMILES

CC[C@H]1C(=C(NC(=O)N1)COC(=O)CSC2=CC=CC=C2C)C(=O)OCC

InChI

InChI=1S/C19H24N2O5S/c1-4-13-17(18(23)25-5-2)14(21-19(24)20-13)10-26-16(22)11-27-15-9-7-6-8-12(15)3/h6-9,13H,4-5,10-11H2,1-3H3,(H2,20,21,24)/t13-/m0/s1