(2-morpholin-4-yl-2-oxidanylidene-ethyl) 4-methylsulfanyl-3-nitro-benzoate

Systemtic Name: (2-morpholin-4-yl-2-oxidanylidene-ethyl) 4-methylsulfanyl-3-nitro-benzoate Openeye Name: (2-morpholino-2-oxo-ethyl) 4-methylsulfanyl-3-nitro-benzoate CAS Name: 4-(methylthio)-3-nitrobenzoic acid [2-(4-morpholinyl)-2-oxoethyl] ester IUPAC Name: (2-morpholin-4-yl-2-oxoethyl) 4-methylsulfanyl-3-nitrobenzoate Traditional Name: 4-(methylthio)-3-nitro-benzoic acid (2-keto-2-morpholino-ethyl) ester Formula: C14H16N2O6S MolecularWeight: 340.35164

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)C(=O)OCC(=O)N2CCOCC2)[N+](=O)[O-]

Isomeric SMILES

CSC1=C(C=C(C=C1)C(=O)OCC(=O)N2CCOCC2)[N+](=O)[O-]

InChI

InChI=1S/C14H16N2O6S/c1-23-12-3-2-10(8-11(12)16(19)20)14(18)22-9-13(17)15-4-6-21-7-5-15/h2-3,8H,4-7,9H2,1H3