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

Systemtic Name: tert-butyl (3S,4R)-4-[bis(phenylmethyl)amino]thiolane-3-carboxylate Openeye Name: tert-butyl (3S,4R)-4-(dibenzylamino)tetrahydrothiophene-3-carboxylate CAS Name: (3S,4R)-4-[bis(phenylmethyl)amino]-3-thiolanecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3S,4R)-4-(dibenzylamino)thiolane-3-carboxylate Traditional Name: (3S,4R)-4-(dibenzylamino)tetrahydrothiophene-3-carboxylic acid tert-butyl ester Formula: C23H29NO2S MolecularWeight: 383.54686

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1CSCC1N(CC2=CC=CC=C2)CC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)[C@H]1CSC[C@@H]1N(CC2=CC=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C23H29NO2S/c1-23(2,3)26-22(25)20-16-27-17-21(20)24(14-18-10-6-4-7-11-18)15-19-12-8-5-9-13-19/h4-13,20-21H,14-17H2,1-3H3/t20-,21-/m0/s1