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

Systemtic Name: [2-[[1,1-bis(oxidanylidene)thiolan-3-yl]-ethyl-amino]-2-oxidanylidene-ethyl] 4-morpholin-4-yl-3-nitro-benzoate Openeye Name: [2-[(1,1-dioxothiolan-3-yl)-ethyl-amino]-2-oxo-ethyl] 4-morpholino-3-nitro-benzoate CAS Name: 4-(4-morpholinyl)-3-nitrobenzoic acid [2-[(1,1-dioxo-3-thiolanyl)-ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[(1,1-dioxothiolan-3-yl)-ethylamino]-2-oxoethyl] 4-morpholin-4-yl-3-nitrobenzoate Traditional Name: 4-morpholino-3-nitro-benzoic acid [2-[(1,1-diketothiolan-3-yl)-ethyl-amino]-2-keto-ethyl] ester Formula: C19H25N3O8S MolecularWeight: 455.4821

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1CCS(=O)(=O)C1)C(=O)COC(=O)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CCN(C1CCS(=O)(=O)C1)C(=O)COC(=O)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C19H25N3O8S/c1-2-21(15-5-10-31(27,28)13-15)18(23)12-30-19(24)14-3-4-16(17(11-14)22(25)26)20-6-8-29-9-7-20/h3-4,11,15H,2,5-10,12-13H2,1H3