[(1S,2R)-1-benzamido-3-tert-butylsulfanyl-3-oxidanylidene-1-phenyl-propan-2-yl] benzoate

Systemtic Name: [(1S,2R)-1-benzamido-3-tert-butylsulfanyl-3-oxidanylidene-1-phenyl-propan-2-yl] benzoate Openeye Name: [(1R)-1-[(S)-benzamido(phenyl)methyl]-2-tert-butylsulfanyl-2-oxo-ethyl] benzoate CAS Name: benzoic acid [(1S,2R)-1-benzamido-3-(tert-butylthio)-3-oxo-1-phenylpropan-2-yl] ester IUPAC Name: [(1S,2R)-1-benzamido-3-tert-butylsulfanyl-3-oxo-1-phenylpropan-2-yl] benzoate Traditional Name: benzoic acid [(1R)-1-[(S)-benzamido(phenyl)methyl]-2-(tert-butylthio)-2-keto-ethyl] ester Formula: C27H27NO4S MolecularWeight: 461.57258

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SC(=O)C(C(C1=CC=CC=C1)NC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)SC(=O)[C@@H]([C@H](C1=CC=CC=C1)NC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C27H27NO4S/c1-27(2,3)33-26(31)23(32-25(30)21-17-11-6-12-18-21)22(19-13-7-4-8-14-19)28-24(29)20-15-9-5-10-16-20/h4-18,22-23H,1-3H3,(H,28,29)/t22-,23+/m0/s1