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

Systemtic Name: [2-oxidanylidene-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 4-morpholin-4-yl-3-nitro-benzoate Openeye Name: [2-oxo-2-[(4-phenylthiazol-2-yl)amino]ethyl] 4-morpholino-3-nitro-benzoate CAS Name: 4-(4-morpholinyl)-3-nitrobenzoic acid [2-oxo-2-[(4-phenyl-2-thiazolyl)amino]ethyl] ester IUPAC Name: [2-oxo-2-[(4-phenyl-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-phenylthiazol-2-yl)amino]ethyl] ester Formula: C22H20N4O6S MolecularWeight: 468.4824

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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=CC=C4)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C22H20N4O6S/c27-20(24-22-23-17(14-33-22)15-4-2-1-3-5-15)13-32-21(28)16-6-7-18(19(12-16)26(29)30)25-8-10-31-11-9-25/h1-7,12,14H,8-11,13H2,(H,23,24,27)