ethyl 3-[(4S)-1-(2-bromophenyl)-2-[(4-cyano-2-oxidanyl-phenyl)amino]-5-oxidanylidene-4H-imidazol-4-yl]propanoate

Systemtic Name: ethyl 3-[(4S)-1-(2-bromophenyl)-2-[(4-cyano-2-oxidanyl-phenyl)amino]-5-oxidanylidene-4H-imidazol-4-yl]propanoate Openeye Name: ethyl 3-[(4S)-1-(2-bromophenyl)-2-(4-cyano-2-hydroxy-anilino)-5-oxo-4H-imidazol-4-yl]propanoate CAS Name: 3-[(4S)-1-(2-bromophenyl)-2-(4-cyano-2-hydroxyanilino)-5-oxo-4H-imidazol-4-yl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[(4S)-1-(2-bromophenyl)-2-(4-cyano-2-hydroxyanilino)-5-oxo-4H-imidazol-4-yl]propanoate Traditional Name: 3-[(4S)-1-(2-bromophenyl)-2-(4-cyano-2-hydroxy-anilino)-5-keto-2-imidazolin-4-yl]propionic acid ethyl ester Formula: C21H19BrN4O4 MolecularWeight: 471.30396

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC1C(=O)N(C(=N1)NC2=C(C=C(C=C2)C#N)O)C3=CC=CC=C3Br

Isomeric SMILES

CCOC(=O)CC[C@H]1C(=O)N(C(=N1)NC2=C(C=C(C=C2)C#N)O)C3=CC=CC=C3Br

InChI

InChI=1S/C21H19BrN4O4/c1-2-30-19(28)10-9-16-20(29)26(17-6-4-3-5-14(17)22)21(25-16)24-15-8-7-13(12-23)11-18(15)27/h3-8,11,16,27H,2,9-10H2,1H3,(H,24,25)/t16-/m0/s1