tert-butyl (3S,4R)-4-[[(1S)-1-phenylethyl]-(phenylmethyl)amino]thiolane-3-carboxylate

Systemtic Name: tert-butyl (3S,4R)-4-[[(1S)-1-phenylethyl]-(phenylmethyl)amino]thiolane-3-carboxylate Openeye Name: tert-butyl (3S,4R)-4-[benzyl-[(1S)-1-phenylethyl]amino]tetrahydrothiophene-3-carboxylate CAS Name: (3S,4R)-4-[[(1S)-1-phenylethyl]-(phenylmethyl)amino]-3-thiolanecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3S,4R)-4-[benzyl-[(1S)-1-phenylethyl]amino]thiolane-3-carboxylate Traditional Name: (3S,4R)-4-[benzyl-[(1S)-1-phenylethyl]amino]tetrahydrothiophene-3-carboxylic acid tert-butyl ester Formula: C24H31NO2S MolecularWeight: 397.57344

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)N(CC2=CC=CC=C2)C3CSCC3C(=O)OC(C)(C)C

Isomeric SMILES

C[C@@H](C1=CC=CC=C1)N(CC2=CC=CC=C2)[C@H]3CSC[C@@H]3C(=O)OC(C)(C)C

InChI

InChI=1S/C24H31NO2S/c1-18(20-13-9-6-10-14-20)25(15-19-11-7-5-8-12-19)22-17-28-16-21(22)23(26)27-24(2,3)4/h5-14,18,21-22H,15-17H2,1-4H3/t18-,21-,22-/m0/s1