[2-oxidanylidene-2-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]amino]ethyl] 4-morpholin-4-yl-3-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]amino]ethyl] 4-morpholin-4-yl-3-nitro-benzoate Openeye Name: [2-oxo-2-[[4-(4-phenylphenyl)thiazol-2-yl]amino]ethyl] 4-morpholino-3-nitro-benzoate CAS Name: 4-(4-morpholinyl)-3-nitrobenzoic acid [2-oxo-2-[[4-(4-phenylphenyl)-2-thiazolyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]amino]ethyl] 4-morpholin-4-yl-3-nitrobenzoate Traditional Name: 4-morpholino-3-nitro-benzoic acid [2-keto-2-[[4-(4-phenylphenyl)thiazol-2-yl]amino]ethyl] ester Formula: C28H24N4O6S MolecularWeight: 544.57836

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)C(=O)OCC(=O)NC3=NC(=CS3)C4=CC=C(C=C4)C5=CC=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)C(=O)OCC(=O)NC3=NC(=CS3)C4=CC=C(C=C4)C5=CC=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C28H24N4O6S/c33-26(17-38-27(34)22-10-11-24(25(16-22)32(35)36)31-12-14-37-15-13-31)30-28-29-23(18-39-28)21-8-6-20(7-9-21)19-4-2-1-3-5-19/h1-11,16,18H,12-15,17H2,(H,29,30,33)