(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 5-morpholin-4-yl-2-nitro-benzoate

Systemtic Name: (5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 5-morpholin-4-yl-2-nitro-benzoate Openeye Name: [5-methyl-2-(2-thienyl)oxazol-4-yl]methyl 5-morpholino-2-nitro-benzoate CAS Name: 5-(4-morpholinyl)-2-nitrobenzoic acid (5-methyl-2-thiophen-2-yl-4-oxazolyl)methyl ester IUPAC Name: (5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 5-morpholin-4-yl-2-nitrobenzoate Traditional Name: 5-morpholino-2-nitro-benzoic acid [5-methyl-2-(2-thienyl)oxazol-4-yl]methyl ester Formula: C20H19N3O6S MolecularWeight: 429.44636

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(O1)C2=CC=CS2)COC(=O)C3=C(C=CC(=C3)N4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(N=C(O1)C2=CC=CS2)COC(=O)C3=C(C=CC(=C3)N4CCOCC4)[N+](=O)[O-]

InChI

InChI=1S/C20H19N3O6S/c1-13-16(21-19(29-13)18-3-2-10-30-18)12-28-20(24)15-11-14(4-5-17(15)23(25)26)22-6-8-27-9-7-22/h2-5,10-11H,6-9,12H2,1H3