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

Systemtic Name: ethyl (4S)-6-[(4-azanyl-5-chloranyl-2-methoxy-phenyl)carbonyloxymethyl]-4-ethyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-6-[(4-amino-5-chloro-2-methoxy-benzoyl)oxymethyl]-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-6-[[(4-amino-5-chloro-2-methoxyphenyl)-oxomethoxy]methyl]-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-6-[(4-amino-5-chloro-2-methoxybenzoyl)oxymethyl]-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-6-[(4-amino-5-chloro-2-methoxy-benzoyl)oxymethyl]-4-ethyl-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C18H22ClN3O6 MolecularWeight: 411.83678

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=C(NC(=O)N1)COC(=O)C2=CC(=C(C=C2OC)N)Cl)C(=O)OCC

Isomeric SMILES

CC[C@H]1C(=C(NC(=O)N1)COC(=O)C2=CC(=C(C=C2OC)N)Cl)C(=O)OCC

InChI

InChI=1S/C18H22ClN3O6/c1-4-12-15(17(24)27-5-2)13(22-18(25)21-12)8-28-16(23)9-6-10(19)11(20)7-14(9)26-3/h6-7,12H,4-5,8,20H2,1-3H3,(H2,21,22,25)/t12-/m0/s1