tert-butyl (2S)-2-[(S)-(2-iodanylphenyl)sulfanyl-phenyl-methyl]morpholine-4-carboxylate

Systemtic Name: tert-butyl (2S)-2-[(S)-(2-iodanylphenyl)sulfanyl-phenyl-methyl]morpholine-4-carboxylate Openeye Name: tert-butyl (2S)-2-[(S)-(2-iodophenyl)sulfanyl-phenyl-methyl]morpholine-4-carboxylate CAS Name: (2S)-2-[(S)-[(2-iodophenyl)thio]-phenylmethyl]-4-morpholinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-[(S)-(2-iodophenyl)sulfanyl-phenylmethyl]morpholine-4-carboxylate Traditional Name: (2S)-2-[(S)-[(2-iodophenyl)thio]-phenyl-methyl]morpholine-4-carboxylic acid tert-butyl ester Formula: C22H26INO3S MolecularWeight: 511.41621

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCOC(C1)C(C2=CC=CC=C2)SC3=CC=CC=C3I

Isomeric SMILES

CC(C)(C)OC(=O)N1CCO[C@@H](C1)[C@H](C2=CC=CC=C2)SC3=CC=CC=C3I

InChI

InChI=1S/C22H26INO3S/c1-22(2,3)27-21(25)24-13-14-26-18(15-24)20(16-9-5-4-6-10-16)28-19-12-8-7-11-17(19)23/h4-12,18,20H,13-15H2,1-3H3/t18-,20-/m0/s1