methyl 3-[[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]carbamoyl]-5-nitro-benzoate

Systemtic Name: methyl 3-[[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[[4-(2-morpholinothiazol-4-yl)phenyl]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[4-[2-(4-morpholinyl)-4-thiazolyl]anilino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[[4-(2-morpholinothiazol-4-yl)phenyl]carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C22H20N4O6S MolecularWeight: 468.4824

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)C(=O)NC2=CC=C(C=C2)C3=CSC(=N3)N4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C(=O)NC2=CC=C(C=C2)C3=CSC(=N3)N4CCOCC4)[N+](=O)[O-]

InChI

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