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

Systemtic Name: ethyl (4S)-6-[(3-azanyl-4-chloranyl-phenyl)carbonyloxymethyl]-4-ethyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-6-[(3-amino-4-chloro-benzoyl)oxymethyl]-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-6-[[(3-amino-4-chlorophenyl)-oxomethoxy]methyl]-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-6-[(3-amino-4-chlorobenzoyl)oxymethyl]-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-6-[(3-amino-4-chloro-benzoyl)oxymethyl]-4-ethyl-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C17H20ClN3O5 MolecularWeight: 381.8108

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20ClN3O5/c1-3-12-14(16(23)25-4-2)13(21-17(24)20-12)8-26-15(22)9-5-6-10(18)11(19)7-9/h5-7,12H,3-4,8,19H2,1-2H3,(H2,20,21,24)/t12-/m0/s1