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

Systemtic Name: ethyl (4S)-6-[(3-azanyl-4-chloranyl-phenyl)carbonyloxymethyl]-2-oxidanylidene-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-6-[(3-amino-4-chloro-benzoyl)oxymethyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-6-[[(3-amino-4-chlorophenyl)-oxomethoxy]methyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-6-[(3-amino-4-chlorobenzoyl)oxymethyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-6-[(3-amino-4-chloro-benzoyl)oxymethyl]-2-keto-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C21H20ClN3O5 MolecularWeight: 429.8536

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC=CC=C2)COC(=O)C3=CC(=C(C=C3)Cl)N

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)N[C@H]1C2=CC=CC=C2)COC(=O)C3=CC(=C(C=C3)Cl)N

InChI

InChI=1S/C21H20ClN3O5/c1-2-29-20(27)17-16(11-30-19(26)13-8-9-14(22)15(23)10-13)24-21(28)25-18(17)12-6-4-3-5-7-12/h3-10,18H,2,11,23H2,1H3,(H2,24,25,28)/t18-/m0/s1