(1-morpholin-4-yl-1-oxidanylidene-propan-2-yl) 5-methylsulfanyl-2-nitro-benzoate

Systemtic Name: (1-morpholin-4-yl-1-oxidanylidene-propan-2-yl) 5-methylsulfanyl-2-nitro-benzoate Openeye Name: (1-methyl-2-morpholino-2-oxo-ethyl) 5-methylsulfanyl-2-nitro-benzoate CAS Name: 5-(methylthio)-2-nitrobenzoic acid [1-(4-morpholinyl)-1-oxopropan-2-yl] ester IUPAC Name: (1-morpholin-4-yl-1-oxopropan-2-yl) 5-methylsulfanyl-2-nitrobenzoate Traditional Name: 5-(methylthio)-2-nitro-benzoic acid (2-keto-1-methyl-2-morpholino-ethyl) ester Formula: C15H18N2O6S MolecularWeight: 354.37822

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCOCC1)OC(=O)C2=C(C=CC(=C2)SC)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)N1CCOCC1)OC(=O)C2=C(C=CC(=C2)SC)[N+](=O)[O-]

InChI

InChI=1S/C15H18N2O6S/c1-10(14(18)16-5-7-22-8-6-16)23-15(19)12-9-11(24-2)3-4-13(12)17(20)21/h3-4,9-10H,5-8H2,1-2H3