[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxidanylidene-ethyl] 4-methylsulfanyl-3-nitro-benzoate

Systemtic Name: [2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxidanylidene-ethyl] 4-methylsulfanyl-3-nitro-benzoate Openeye Name: [2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxo-ethyl] 4-methylsulfanyl-3-nitro-benzoate CAS Name: 4-(methylthio)-3-nitrobenzoic acid [2-[(2R,6R)-2,6-dimethyl-4-morpholinyl]-2-oxoethyl] ester IUPAC Name: [2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 4-methylsulfanyl-3-nitrobenzoate Traditional Name: 4-(methylthio)-3-nitro-benzoic acid [2-[(2R,6R)-2,6-dimethylmorpholino]-2-keto-ethyl] ester Formula: C16H20N2O6S MolecularWeight: 368.4048

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(O1)C)C(=O)COC(=O)C2=CC(=C(C=C2)SC)[N+](=O)[O-]

Isomeric SMILES

C[C@@H]1CN(C[C@H](O1)C)C(=O)COC(=O)C2=CC(=C(C=C2)SC)[N+](=O)[O-]

InChI

InChI=1S/C16H20N2O6S/c1-10-7-17(8-11(2)24-10)15(19)9-23-16(20)12-4-5-14(25-3)13(6-12)18(21)22/h4-6,10-11H,7-9H2,1-3H3/t10-,11-/m1/s1