tert-butyl N-[1-[[2-[(5-bromanyl-2-methoxy-phenyl)methylsulfanyl]phenyl]methyl]pyrrolidin-3-yl]carbamate

Systemtic Name: tert-butyl N-[1-[[2-[(5-bromanyl-2-methoxy-phenyl)methylsulfanyl]phenyl]methyl]pyrrolidin-3-yl]carbamate Openeye Name: tert-butyl N-[1-[[2-[(5-bromo-2-methoxy-phenyl)methylsulfanyl]phenyl]methyl]pyrrolidin-3-yl]carbamate CAS Name: N-[1-[[2-[(5-bromo-2-methoxyphenyl)methylthio]phenyl]methyl]-3-pyrrolidinyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-[[2-[(5-bromo-2-methoxyphenyl)methylsulfanyl]phenyl]methyl]pyrrolidin-3-yl]carbamate Traditional Name: N-[1-[2-[(5-bromo-2-methoxy-benzyl)thio]benzyl]pyrrolidin-3-yl]carbamic acid tert-butyl ester Formula: C24H31BrN2O3S MolecularWeight: 507.48354

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1CCN(C1)CC2=CC=CC=C2SCC3=C(C=CC(=C3)Br)OC

Isomeric SMILES

CC(C)(C)OC(=O)NC1CCN(C1)CC2=CC=CC=C2SCC3=C(C=CC(=C3)Br)OC

InChI

InChI=1S/C24H31BrN2O3S/c1-24(2,3)30-23(28)26-20-11-12-27(15-20)14-17-7-5-6-8-22(17)31-16-18-13-19(25)9-10-21(18)29-4/h5-10,13,20H,11-12,14-16H2,1-4H3,(H,26,28)