methyl (2R)-4-[2-(4-chloranyl-3-nitro-phenyl)carbonyloxyethanoyl]thiomorpholine-2-carboxylate

Systemtic Name: methyl (2R)-4-[2-(4-chloranyl-3-nitro-phenyl)carbonyloxyethanoyl]thiomorpholine-2-carboxylate Openeye Name: methyl (2R)-4-[2-(4-chloro-3-nitro-benzoyl)oxyacetyl]thiomorpholine-2-carboxylate CAS Name: (2R)-4-[2-[(4-chloro-3-nitrophenyl)-oxomethoxy]-1-oxoethyl]-2-thiomorpholinecarboxylic acid methyl ester IUPAC Name: methyl (2R)-4-[2-(4-chloro-3-nitrobenzoyl)oxyacetyl]thiomorpholine-2-carboxylate Traditional Name: (2R)-4-[2-(4-chloro-3-nitro-benzoyl)oxyacetyl]thiomorpholine-2-carboxylic acid methyl ester Formula: C15H15ClN2O7S MolecularWeight: 402.8068

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CN(CCS1)C(=O)COC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

COC(=O)[C@H]1CN(CCS1)C(=O)COC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C15H15ClN2O7S/c1-24-15(21)12-7-17(4-5-26-12)13(19)8-25-14(20)9-2-3-10(16)11(6-9)18(22)23/h2-3,6,12H,4-5,7-8H2,1H3/t12-/m1/s1