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

Systemtic Name: ethyl (4S)-6-[(2-chloranyl-5-methylsulfanyl-phenyl)carbonyloxymethyl]-4-ethyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-6-[(2-chloro-5-methylsulfanyl-benzoyl)oxymethyl]-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-6-[[[2-chloro-5-(methylthio)phenyl]-oxomethoxy]methyl]-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-6-[(2-chloro-5-methylsulfanylbenzoyl)oxymethyl]-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-6-[[2-chloro-5-(methylthio)benzoyl]oxymethyl]-4-ethyl-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C18H21ClN2O5S MolecularWeight: 412.88774

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21ClN2O5S/c1-4-13-15(17(23)25-5-2)14(21-18(24)20-13)9-26-16(22)11-8-10(27-3)6-7-12(11)19/h6-8,13H,4-5,9H2,1-3H3,(H2,20,21,24)/t13-/m0/s1