methyl 4-[2-[(4-morpholin-4-yl-3-nitro-phenyl)carbonylamino]-1,3-thiazol-4-yl]benzoate

Systemtic Name: methyl 4-[2-[(4-morpholin-4-yl-3-nitro-phenyl)carbonylamino]-1,3-thiazol-4-yl]benzoate Openeye Name: methyl 4-[2-[(4-morpholino-3-nitro-benzoyl)amino]thiazol-4-yl]benzoate CAS Name: 4-[2-[[[4-(4-morpholinyl)-3-nitrophenyl]-oxomethyl]amino]-4-thiazolyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-[(4-morpholin-4-yl-3-nitrobenzoyl)amino]-1,3-thiazol-4-yl]benzoate Traditional Name: 4-[2-[(4-morpholino-3-nitro-benzoyl)amino]thiazol-4-yl]benzoic acid methyl ester Formula: C22H20N4O6S MolecularWeight: 468.4824

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-]

InChI

InChI=1S/C22H20N4O6S/c1-31-21(28)15-4-2-14(3-5-15)17-13-33-22(23-17)24-20(27)16-6-7-18(19(12-16)26(29)30)25-8-10-32-11-9-25/h2-7,12-13H,8-11H2,1H3,(H,23,24,27)