(2-ethyl-1,3-thiazol-4-yl)methyl 4-morpholin-4-yl-3-nitro-benzoate

Systemtic Name: (2-ethyl-1,3-thiazol-4-yl)methyl 4-morpholin-4-yl-3-nitro-benzoate Openeye Name: (2-ethylthiazol-4-yl)methyl 4-morpholino-3-nitro-benzoate CAS Name: 4-(4-morpholinyl)-3-nitrobenzoic acid (2-ethyl-4-thiazolyl)methyl ester IUPAC Name: (2-ethyl-1,3-thiazol-4-yl)methyl 4-morpholin-4-yl-3-nitrobenzoate Traditional Name: 4-morpholino-3-nitro-benzoic acid (2-ethylthiazol-4-yl)methyl ester Formula: C17H19N3O5S MolecularWeight: 377.41486

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=CS1)COC(=O)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CCC1=NC(=CS1)COC(=O)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C17H19N3O5S/c1-2-16-18-13(11-26-16)10-25-17(21)12-3-4-14(15(9-12)20(22)23)19-5-7-24-8-6-19/h3-4,9,11H,2,5-8,10H2,1H3