ethyl (4S)-6-[(2-aminocarbonyl-4-chloranyl-phenoxy)methyl]-4-(4-methoxyphenyl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl (4S)-6-[(2-aminocarbonyl-4-chloranyl-phenoxy)methyl]-4-(4-methoxyphenyl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-6-[(2-carbamoyl-4-chloro-phenoxy)methyl]-4-(4-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-6-[(2-carbamoyl-4-chlorophenoxy)methyl]-4-(4-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-6-[(2-carbamoyl-4-chlorophenoxy)methyl]-4-(4-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-6-[(2-carbamoyl-4-chloro-phenoxy)methyl]-2-keto-4-(4-methoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C22H22ClN3O6 MolecularWeight: 459.87958

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC=C(C=C2)OC)COC3=C(C=C(C=C3)Cl)C(=O)N

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)N[C@H]1C2=CC=C(C=C2)OC)COC3=C(C=C(C=C3)Cl)C(=O)N

InChI

InChI=1S/C22H22ClN3O6/c1-3-31-21(28)18-16(11-32-17-9-6-13(23)10-15(17)20(24)27)25-22(29)26-19(18)12-4-7-14(30-2)8-5-12/h4-10,19H,3,11H2,1-2H3,(H2,24,27)(H2,25,26,29)/t19-/m0/s1