tert-butyl [2-methyl-3-[2-methylsulfanyl-6-(pyrrolidin-1-ylcarbonylamino)benzimidazol-1-yl]-6-phenyl-phenyl] carbonate

Systemtic Name: tert-butyl [2-methyl-3-[2-methylsulfanyl-6-(pyrrolidin-1-ylcarbonylamino)benzimidazol-1-yl]-6-phenyl-phenyl] carbonate Openeye Name: tert-butyl [2-methyl-3-[2-methylsulfanyl-6-(pyrrolidine-1-carbonylamino)benzimidazol-1-yl]-6-phenyl-phenyl] carbonate CAS Name: carbonic acid tert-butyl [2-methyl-3-[2-(methylthio)-6-[[oxo(1-pyrrolidinyl)methyl]amino]-1-benzimidazolyl]-6-phenylphenyl] ester IUPAC Name: tert-butyl [2-methyl-3-[2-methylsulfanyl-6-(pyrrolidine-1-carbonylamino)benzimidazol-1-yl]-6-phenylphenyl] carbonate Traditional Name: carbonic acid tert-butyl [2-methyl-3-[2-(methylthio)-6-(pyrrolidine-1-carbonylamino)benzimidazol-1-yl]-6-phenyl-phenyl] ester Formula: C31H34N4O4S MolecularWeight: 558.69106

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1OC(=O)OC(C)(C)C)C2=CC=CC=C2)N3C4=C(C=CC(=C4)NC(=O)N5CCCC5)N=C3SC

Isomeric SMILES

CC1=C(C=CC(=C1OC(=O)OC(C)(C)C)C2=CC=CC=C2)N3C4=C(C=CC(=C4)NC(=O)N5CCCC5)N=C3SC

InChI

InChI=1S/C31H34N4O4S/c1-20-25(16-14-23(21-11-7-6-8-12-21)27(20)38-30(37)39-31(2,3)4)35-26-19-22(13-15-24(26)33-29(35)40-5)32-28(36)34-17-9-10-18-34/h6-8,11-16,19H,9-10,17-18H2,1-5H3,(H,32,36)