tert-butyl [(3S,5S)-5-[[methyl(naphthalen-1-yl)amino]methyl]pyrrolidin-3-yl]sulfanylmethanoate

Systemtic Name: tert-butyl [(3S,5S)-5-[[methyl(naphthalen-1-yl)amino]methyl]pyrrolidin-3-yl]sulfanylmethanoate Openeye Name: tert-butyl [(3S,5S)-5-[[methyl(1-naphthyl)amino]methyl]pyrrolidin-3-yl]sulfanylformate CAS Name: [[(3S,5S)-5-[[methyl(1-naphthalenyl)amino]methyl]-3-pyrrolidinyl]thio]formic acid tert-butyl ester IUPAC Name: tert-butyl [(3S,5S)-5-[[methyl(naphthalen-1-yl)amino]methyl]pyrrolidin-3-yl]sulfanylformate Traditional Name: [[(3S,5S)-5-[[methyl(1-naphthyl)amino]methyl]pyrrolidin-3-yl]thio]formic acid tert-butyl ester Formula: C21H28N2O2S MolecularWeight: 372.52422

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)SC1CC(NC1)CN(C)C2=CC=CC3=CC=CC=C32

Isomeric SMILES

CC(C)(C)OC(=O)S[C@H]1C[C@H](NC1)CN(C)C2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C21H28N2O2S/c1-21(2,3)25-20(24)26-17-12-16(22-13-17)14-23(4)19-11-7-9-15-8-5-6-10-18(15)19/h5-11,16-17,22H,12-14H2,1-4H3/t16-,17-/m0/s1