methyl (2R)-4-[2-(2-chloranyl-4-nitro-phenoxy)ethanoyl]thiomorpholine-2-carboxylate

Systemtic Name: methyl (2R)-4-[2-(2-chloranyl-4-nitro-phenoxy)ethanoyl]thiomorpholine-2-carboxylate Openeye Name: methyl (2R)-4-[2-(2-chloro-4-nitro-phenoxy)acetyl]thiomorpholine-2-carboxylate CAS Name: (2R)-4-[2-(2-chloro-4-nitrophenoxy)-1-oxoethyl]-2-thiomorpholinecarboxylic acid methyl ester IUPAC Name: methyl (2R)-4-[2-(2-chloro-4-nitrophenoxy)acetyl]thiomorpholine-2-carboxylate Traditional Name: (2R)-4-[2-(2-chloro-4-nitro-phenoxy)acetyl]thiomorpholine-2-carboxylic acid methyl ester Formula: C14H15ClN2O6S MolecularWeight: 374.7967

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CN(CCS1)C(=O)COC2=C(C=C(C=C2)[N+](=O)[O-])Cl

Isomeric SMILES

COC(=O)[C@H]1CN(CCS1)C(=O)COC2=C(C=C(C=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C14H15ClN2O6S/c1-22-14(19)12-7-16(4-5-24-12)13(18)8-23-11-3-2-9(17(20)21)6-10(11)15/h2-3,6,12H,4-5,7-8H2,1H3/t12-/m1/s1