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

Systemtic Name: methyl (2R)-4-[2-(4-bromanyl-2-chloranyl-phenoxy)ethanoyl]thiomorpholine-2-carboxylate Openeye Name: methyl (2R)-4-[2-(4-bromo-2-chloro-phenoxy)acetyl]thiomorpholine-2-carboxylate CAS Name: (2R)-4-[2-(4-bromo-2-chlorophenoxy)-1-oxoethyl]-2-thiomorpholinecarboxylic acid methyl ester IUPAC Name: methyl (2R)-4-[2-(4-bromo-2-chlorophenoxy)acetyl]thiomorpholine-2-carboxylate Traditional Name: (2R)-4-[2-(4-bromo-2-chloro-phenoxy)acetyl]thiomorpholine-2-carboxylic acid methyl ester Formula: C14H15BrClNO4S MolecularWeight: 408.6952

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CN(CCS1)C(=O)COC2=C(C=C(C=C2)Br)Cl

Isomeric SMILES

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

InChI

InChI=1S/C14H15BrClNO4S/c1-20-14(19)12-7-17(4-5-22-12)13(18)8-21-11-3-2-9(15)6-10(11)16/h2-3,6,12H,4-5,7-8H2,1H3/t12-/m1/s1