tert-butyl 3-[[2-[(5-bromanyl-2-methoxy-phenyl)methylsulfanyl]phenyl]methoxy]pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl 3-[[2-[(5-bromanyl-2-methoxy-phenyl)methylsulfanyl]phenyl]methoxy]pyrrolidine-1-carboxylate Openeye Name: tert-butyl 3-[[2-[(5-bromo-2-methoxy-phenyl)methylsulfanyl]phenyl]methoxy]pyrrolidine-1-carboxylate CAS Name: 3-[[2-[(5-bromo-2-methoxyphenyl)methylthio]phenyl]methoxy]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[[2-[(5-bromo-2-methoxyphenyl)methylsulfanyl]phenyl]methoxy]pyrrolidine-1-carboxylate Traditional Name: 3-[2-[(5-bromo-2-methoxy-benzyl)thio]benzyl]oxypyrrolidine-1-carboxylic acid tert-butyl ester Formula: C24H30BrNO4S MolecularWeight: 508.4683

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(C1)OCC2=CC=CC=C2SCC3=C(C=CC(=C3)Br)OC

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(C1)OCC2=CC=CC=C2SCC3=C(C=CC(=C3)Br)OC

InChI

InChI=1S/C24H30BrNO4S/c1-24(2,3)30-23(27)26-12-11-20(14-26)29-15-17-7-5-6-8-22(17)31-16-18-13-19(25)9-10-21(18)28-4/h5-10,13,20H,11-12,14-16H2,1-4H3