methyl (2R)-4-[2-(2-bromanyl-4,5-dimethoxy-phenyl)ethanoyl]thiomorpholine-2-carboxylate

Systemtic Name: methyl (2R)-4-[2-(2-bromanyl-4,5-dimethoxy-phenyl)ethanoyl]thiomorpholine-2-carboxylate Openeye Name: methyl (2R)-4-[2-(2-bromo-4,5-dimethoxy-phenyl)acetyl]thiomorpholine-2-carboxylate CAS Name: (2R)-4-[2-(2-bromo-4,5-dimethoxyphenyl)-1-oxoethyl]-2-thiomorpholinecarboxylic acid methyl ester IUPAC Name: methyl (2R)-4-[2-(2-bromo-4,5-dimethoxyphenyl)acetyl]thiomorpholine-2-carboxylate Traditional Name: (2R)-4-[2-(2-bromo-4,5-dimethoxy-phenyl)acetyl]thiomorpholine-2-carboxylic acid methyl ester Formula: C16H20BrNO5S MolecularWeight: 418.3027

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CC(=O)N2CCSC(C2)C(=O)OC)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CC(=O)N2CCS[C@H](C2)C(=O)OC)Br)OC

InChI

InChI=1S/C16H20BrNO5S/c1-21-12-6-10(11(17)8-13(12)22-2)7-15(19)18-4-5-24-14(9-18)16(20)23-3/h6,8,14H,4-5,7,9H2,1-3H3/t14-/m1/s1