tert-butyl N-[(2R)-1-oxidanyl-1-(2-oxidanylidenecyclohexyl)-3-(triphenylmethyl)sulfanyl-propan-2-yl]carbamate

Systemtic Name: tert-butyl N-[(2R)-1-oxidanyl-1-(2-oxidanylidenecyclohexyl)-3-(triphenylmethyl)sulfanyl-propan-2-yl]carbamate Openeye Name: tert-butyl N-[(1R)-2-hydroxy-2-(2-oxocyclohexyl)-1-(tritylsulfanylmethyl)ethyl]carbamate CAS Name: N-[(2R)-1-hydroxy-1-(2-oxocyclohexyl)-3-[(triphenylmethyl)thio]propan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2R)-1-hydroxy-1-(2-oxocyclohexyl)-3-tritylsulfanylpropan-2-yl]carbamate Traditional Name: N-[(1R)-2-hydroxy-2-(2-ketocyclohexyl)-1-[(tritylthio)methyl]ethyl]carbamic acid tert-butyl ester Formula: C33H39NO4S MolecularWeight: 545.73206

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CSC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)C(C4CCCCC4=O)O

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CSC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)C(C4CCCCC4=O)O

InChI

InChI=1S/C33H39NO4S/c1-32(2,3)38-31(37)34-28(30(36)27-21-13-14-22-29(27)35)23-39-33(24-15-7-4-8-16-24,25-17-9-5-10-18-25)26-19-11-6-12-20-26/h4-12,15-20,27-28,30,36H,13-14,21-23H2,1-3H3,(H,34,37)/t27?,28-,30?/m0/s1