tert-butyl [2-[[2-(methylsulfanylmethyl)benzimidazol-1-yl]methyl]-6-phenyl-phenyl] carbonate

Systemtic Name: tert-butyl [2-[[2-(methylsulfanylmethyl)benzimidazol-1-yl]methyl]-6-phenyl-phenyl] carbonate Openeye Name: tert-butyl [2-[[2-(methylsulfanylmethyl)benzimidazol-1-yl]methyl]-6-phenyl-phenyl] carbonate CAS Name: carbonic acid tert-butyl [2-[[2-[(methylthio)methyl]-1-benzimidazolyl]methyl]-6-phenylphenyl] ester IUPAC Name: tert-butyl [2-[[2-(methylsulfanylmethyl)benzimidazol-1-yl]methyl]-6-phenylphenyl] carbonate Traditional Name: carbonic acid tert-butyl [2-[[2-[(methylthio)methyl]benzimidazol-1-yl]methyl]-6-phenyl-phenyl] ester Formula: C27H28N2O3S MolecularWeight: 460.58782

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)OC1=C(C=CC=C1CN2C3=CC=CC=C3N=C2CSC)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)OC1=C(C=CC=C1CN2C3=CC=CC=C3N=C2CSC)C4=CC=CC=C4

InChI

InChI=1S/C27H28N2O3S/c1-27(2,3)32-26(30)31-25-20(13-10-14-21(25)19-11-6-5-7-12-19)17-29-23-16-9-8-15-22(23)28-24(29)18-33-4/h5-16H,17-18H2,1-4H3