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

Systemtic Name: tert-butyl [2-[(2-methylsulfanylbenzimidazol-1-yl)methyl]-6-phenyl-phenyl] carbonate Openeye Name: tert-butyl [2-[(2-methylsulfanylbenzimidazol-1-yl)methyl]-6-phenyl-phenyl] carbonate CAS Name: carbonic acid tert-butyl [2-[[2-(methylthio)-1-benzimidazolyl]methyl]-6-phenylphenyl] ester IUPAC Name: tert-butyl [2-[(2-methylsulfanylbenzimidazol-1-yl)methyl]-6-phenylphenyl] carbonate Traditional Name: carbonic acid tert-butyl [2-[[2-(methylthio)benzimidazol-1-yl]methyl]-6-phenyl-phenyl] ester Formula: C26H26N2O3S MolecularWeight: 446.56124

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)OC1=C(C=CC=C1CN2C3=CC=CC=C3N=C2SC)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)OC1=C(C=CC=C1CN2C3=CC=CC=C3N=C2SC)C4=CC=CC=C4

InChI

InChI=1S/C26H26N2O3S/c1-26(2,3)31-25(29)30-23-19(13-10-14-20(23)18-11-6-5-7-12-18)17-28-22-16-9-8-15-21(22)27-24(28)32-4/h5-16H,17H2,1-4H3