methyl (2R)-4-(4-bromanyl-3,5-dimethoxy-phenyl)carbonylthiomorpholine-2-carboxylate

Systemtic Name: methyl (2R)-4-(4-bromanyl-3,5-dimethoxy-phenyl)carbonylthiomorpholine-2-carboxylate Openeye Name: methyl (2R)-4-(4-bromo-3,5-dimethoxy-benzoyl)thiomorpholine-2-carboxylate CAS Name: (2R)-4-[(4-bromo-3,5-dimethoxyphenyl)-oxomethyl]-2-thiomorpholinecarboxylic acid methyl ester IUPAC Name: methyl (2R)-4-(4-bromo-3,5-dimethoxybenzoyl)thiomorpholine-2-carboxylate Traditional Name: (2R)-4-(4-bromo-3,5-dimethoxy-benzoyl)thiomorpholine-2-carboxylic acid methyl ester Formula: C15H18BrNO5S MolecularWeight: 404.27612

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1Br)OC)C(=O)N2CCSC(C2)C(=O)OC

Isomeric SMILES

COC1=CC(=CC(=C1Br)OC)C(=O)N2CCS[C@H](C2)C(=O)OC

InChI

InChI=1S/C15H18BrNO5S/c1-20-10-6-9(7-11(21-2)13(10)16)14(18)17-4-5-23-12(8-17)15(19)22-3/h6-7,12H,4-5,8H2,1-3H3/t12-/m1/s1