ethyl (2R)-1-[2-(4-methylsulfanyl-3-nitro-phenyl)carbonyloxyethanoyl]piperidine-2-carboxylate

Systemtic Name: ethyl (2R)-1-[2-(4-methylsulfanyl-3-nitro-phenyl)carbonyloxyethanoyl]piperidine-2-carboxylate Openeye Name: ethyl (2R)-1-[2-(4-methylsulfanyl-3-nitro-benzoyl)oxyacetyl]piperidine-2-carboxylate CAS Name: (2R)-1-[2-[[4-(methylthio)-3-nitrophenyl]-oxomethoxy]-1-oxoethyl]-2-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (2R)-1-[2-(4-methylsulfanyl-3-nitrobenzoyl)oxyacetyl]piperidine-2-carboxylate Traditional Name: (2R)-1-[2-[4-(methylthio)-3-nitro-benzoyl]oxyacetyl]pipecolinic acid ethyl ester Formula: C18H22N2O7S MolecularWeight: 410.44148

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCCN1C(=O)COC(=O)C2=CC(=C(C=C2)SC)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)[C@H]1CCCCN1C(=O)COC(=O)C2=CC(=C(C=C2)SC)[N+](=O)[O-]

InChI

InChI=1S/C18H22N2O7S/c1-3-26-18(23)13-6-4-5-9-19(13)16(21)11-27-17(22)12-7-8-15(28-2)14(10-12)20(24)25/h7-8,10,13H,3-6,9,11H2,1-2H3/t13-/m1/s1